Glicaramide (C30H42N6O5S)

Structural Information

Molecular Formula

SMILES

CCN1C2=NC=C(C(=C2C(=N1)C)OCCC(C)C)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4

InChI

InChI=1S/C30H42N6O5S/c1-5-36-28-26(21(4)34-36)27(41-18-16-20(2)3)25(19-32-28)29(37)31-17-15-22-11-13-24(14-12-22)42(39,40)35-30(38)33-23-9-7-6-8-10-23/h11-14,19-20,23H,5-10,15-18H2,1-4H3,(H,31,37)(H2,33,35,38)

InChIKey

DIBGLVNSPMMGHO-UHFFFAOYSA-N

Compound name

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-ethyl-3-methyl-4-(3-methylbutoxy)pyrazolo[3,4-b]pyridine-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	599.301036	241.0
[M+Na]+	621.282978	241.6
[M-H]-	597.286484	246.5
[M+NH4]+	616.327583	241.4
[M+K]+	637.256918	237.1
[M+H-H2O]+	581.291020	230.3
[M+HCOO]-	643.291961	250.0
[M+CH3COO]-	657.307611	265.1
[M+Na-2H]-	619.268426	239.4
[M]+	598.29321142	245.1
[M]-	598.29430858	245.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

599.301036

241.0

[M+Na]+

621.282978

241.6

[M-H]-

597.286484

246.5

[M+NH4]+

616.327583

241.4

[M+K]+

637.256918

237.1

[M+H-H2O]+

581.291020

230.3

[M+HCOO]-

643.291961

250.0

[M+CH3COO]-

657.307611

265.1

[M+Na-2H]-

619.268426

239.4

[M]+

598.29321142

245.1

[M]-

598.29430858

245.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Glicaramide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe