CID 135497108

Chembl1187989

Structural Information

Molecular Formula
C18H24N6O
SMILES
CCN(C)CCCCN1C=NC2=C1N=C(NC2=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H24N6O/c1-3-23(2)11-7-8-12-24-13-19-15-16(24)21-18(22-17(15)25)20-14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H2,20,21,22,25)
InChIKey
JPQWPVMBAVFRFX-UHFFFAOYSA-N
Compound name
2-anilino-9-[4-[ethyl(methyl)amino]butyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.20117 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20845 181.1
[M+Na]+ 363.19039 189.0
[M-H]- 339.19389 184.0
[M+NH4]+ 358.23499 191.5
[M+K]+ 379.16433 183.0
[M+H-H2O]+ 323.19843 169.9
[M+HCOO]- 385.19937 202.2
[M+CH3COO]- 399.21502 217.6
[M+Na-2H]- 361.17584 186.5
[M]+ 340.20062 184.5
[M]- 340.20172 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.