CID 135566329

6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one

Structural Information

Molecular Formula
C20H16N6O
SMILES
C1=CC=C2C(=C1)C=CC=C2CNC3=NC4=C(N3)C=C5C(=C4)N=C(NC5=O)N
InChI
InChI=1S/C20H16N6O/c21-19-23-15-9-17-16(8-14(15)18(27)26-19)24-20(25-17)22-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H2,22,24,25)(H3,21,23,26,27)
InChIKey
MCEZMMDIEXECTI-UHFFFAOYSA-N
Compound name
6-amino-2-(naphthalen-1-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

356.13855 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14583 180.2
[M+Na]+ 379.12777 192.1
[M-H]- 355.13127 183.4
[M+NH4]+ 374.17237 190.5
[M+K]+ 395.10171 182.0
[M+H-H2O]+ 339.13581 170.0
[M+HCOO]- 401.13675 198.5
[M+CH3COO]- 415.15240 189.7
[M+Na-2H]- 377.11322 189.5
[M]+ 356.13800 180.5
[M]- 356.13910 180.5
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

patents stripe