PubChemLite - 510761-86-1 (C26H34N6O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NC5CCCCC5

InChI

InChI=1S/C26H34N6O3/c1-18-7-5-11-32-23(18)29-24-21(26(32)34)17-20(25(33)28-19-8-3-2-4-9-19)22(27)31(24)12-6-10-30-13-15-35-16-14-30/h5,7,11,17,19,27H,2-4,6,8-10,12-16H2,1H3,(H,28,33)

InChIKey

BYPCFSSOHOLOCZ-UHFFFAOYSA-N

Compound name

N-cyclohexyl-6-imino-11-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-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]+	479.27651	218.1
[M+Na]+	501.25845	231.1
[M+NH4]+	496.30305	222.8
[M+K]+	517.23239	223.6
[M-H]-	477.26195	224.4
[M+Na-2H]-	499.24390	222.4
[M]+	478.26868	221.4
[M]-	478.26978	221.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.27651

218.1

[M+Na]+

501.25845

231.1

[M+NH4]+

496.30305

222.8

[M+K]+

517.23239

223.6

[M-H]-

477.26195

224.4

[M+Na-2H]-

499.24390

222.4

[M]+

478.26868

221.4

[M]-

478.26978

221.4

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

510761-86-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe