CID 135566918

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

Structural Information

Molecular Formula
C15H19N7O2
SMILES
C1COCCN1CCNC2=NC3=C(N2)C=C4C(=C3)N=C(NC4=O)N
InChI
InChI=1S/C15H19N7O2/c16-14-18-10-8-12-11(7-9(10)13(23)21-14)19-15(20-12)17-1-2-22-3-5-24-6-4-22/h7-8H,1-6H2,(H2,17,19,20)(H3,16,18,21,23)
InChIKey
JUHXOBNFTFUPKQ-UHFFFAOYSA-N
Compound name
6-amino-2-(2-morpholin-4-ylethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

329.16003 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16731 175.1
[M+Na]+ 352.14925 183.2
[M-H]- 328.15275 175.1
[M+NH4]+ 347.19385 182.5
[M+K]+ 368.12319 176.6
[M+H-H2O]+ 312.15729 164.4
[M+HCOO]- 374.15823 187.8
[M+CH3COO]- 388.17388 182.9
[M+Na-2H]- 350.13470 180.6
[M]+ 329.15948 171.3
[M]- 329.16058 171.3
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