PubChemLite - Nsc 23766 (C24H35N7)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C

InChI

InChI=1S/C24H35N7/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30)

InChIKey

DEFBCZWQLILOJF-UHFFFAOYSA-N

Compound name

6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-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]+	422.30266	208.9
[M+Na]+	444.28460	220.1
[M+NH4]+	439.32920	214.3
[M+K]+	460.25854	212.5
[M-H]-	420.28810	214.4
[M+Na-2H]-	442.27005	214.8
[M]+	421.29483	211.8
[M]-	421.29593	211.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.30266

208.9

[M+Na]+

444.28460

220.1

[M+NH4]+

439.32920

214.3

[M+K]+

460.25854

212.5

[M-H]-

420.28810

214.4

[M+Na-2H]-

442.27005

214.8

[M]+

421.29483

211.8

[M]-

421.29593

211.8

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

Nsc 23766

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe