CID 135800218

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

Structural Information

Molecular Formula
C14H12N6OS
SMILES
C1=CSC(=C1)CNC2=NC3=C(N2)C=C4C(=C3)N=C(NC4=O)N
InChI
InChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21)
InChIKey
IQKMJWDYMFWZRF-UHFFFAOYSA-N
Compound name
6-amino-2-(thiophen-2-ylmethylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

312.0793 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08658 163.8
[M+Na]+ 335.06852 177.3
[M-H]- 311.07202 167.2
[M+NH4]+ 330.11312 178.2
[M+K]+ 351.04246 169.2
[M+H-H2O]+ 295.07656 157.0
[M+HCOO]- 357.07750 181.4
[M+CH3COO]- 371.09315 175.5
[M+Na-2H]- 333.05397 168.9
[M]+ 312.07875 166.9
[M]- 312.07985 166.9
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