CID 237591

3-amino-2-methylquinazolin-4(3h)-one

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1N
InChI
InChI=1S/C9H9N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-5H,10H2,1H3
InChIKey
IQOUPYQSZBDNAW-UHFFFAOYSA-N
Compound name
3-amino-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

71
Patents

175.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 134.7
[M+Na]+ 198.063768 145.9
[M-H]- 174.067274 137.1
[M+NH4]+ 193.108373 153.4
[M+K]+ 214.037708 142.3
[M+H-H2O]+ 158.071810 127.5
[M+HCOO]- 220.072751 157.3
[M+CH3COO]- 234.088401 183.0
[M+Na-2H]- 196.049216 143.4
[M]+ 175.07400142 134.7
[M]- 175.07509858 134.7
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