Schembl16661195 (C35H66N8)

Structural Information

Molecular Formula

SMILES

CCCCN(C1CC(N(C(C1)(C)C)C)(C)C)C2=NC(=NC(=N2)N3CCCC3)N(CCCC)C4CC(N(C(C4)(C)C)C)(C)C

InChI

InChI=1S/C35H66N8/c1-13-15-21-42(27-23-32(3,4)39(11)33(5,6)24-27)30-36-29(41-19-17-18-20-41)37-31(38-30)43(22-16-14-2)28-25-34(7,8)40(12)35(9,10)26-28/h27-28H,13-26H2,1-12H3

InChIKey

TWRXLSBOPJJNHZ-UHFFFAOYSA-N

Compound name

2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

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]+	599.548276	239.6
[M+Na]+	621.530218	241.6
[M-H]-	597.533724	244.9
[M+NH4]+	616.574823	245.1
[M+K]+	637.504158	237.9
[M+H-H2O]+	581.538260	226.1
[M+HCOO]-	643.539201	244.5
[M+CH3COO]-	657.554851	276.0
[M+Na-2H]-	619.515666	232.1
[M]+	598.54045142	239.4
[M]-	598.54154858	239.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

599.548276

239.6

[M+Na]+

621.530218

241.6

[M-H]-

597.533724

244.9

[M+NH4]+

616.574823

245.1

[M+K]+

637.504158

237.9

[M+H-H2O]+

581.538260

226.1

[M+HCOO]-

643.539201

244.5

[M+CH3COO]-

657.554851

276.0

[M+Na-2H]-

619.515666

232.1

[M]+

598.54045142

239.4

[M]-

598.54154858

239.4

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

Schembl16661195

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe