CID 3426161

2-amino-7-methyl-7,8-dihydroquinazolin-5(6h)-one

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1CC2=NC(=NC=C2C(=O)C1)N
InChI
InChI=1S/C9H11N3O/c1-5-2-7-6(8(13)3-5)4-11-9(10)12-7/h4-5H,2-3H2,1H3,(H2,10,11,12)
InChIKey
JZVAVPSXDGOXIX-UHFFFAOYSA-N
Compound name
2-amino-7-methyl-7,8-dihydro-6H-quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

177.09021 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 137.3
[M+Na]+ 200.079428 146.5
[M-H]- 176.082934 138.9
[M+NH4]+ 195.124033 155.7
[M+K]+ 216.053368 143.3
[M+H-H2O]+ 160.087470 130.0
[M+HCOO]- 222.088411 157.0
[M+CH3COO]- 236.104061 183.6
[M+Na-2H]- 198.064876 144.0
[M]+ 177.08966142 134.4
[M]- 177.09075858 134.4
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