CID 135474899

50440-82-9

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=CC2=C(C=C1)N=C(NC2=O)N
InChI
InChI=1S/C9H9N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13)
InChIKey
DJYDUJAKTAWKTN-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

175.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 135.3
[M+Na]+ 198.063768 146.1
[M-H]- 174.067274 136.3
[M+NH4]+ 193.108373 153.3
[M+K]+ 214.037708 141.6
[M+H-H2O]+ 158.071810 128.4
[M+HCOO]- 220.072751 156.4
[M+CH3COO]- 234.088401 148.4
[M+Na-2H]- 196.049216 143.6
[M]+ 175.07400142 133.4
[M]- 175.07509858 133.4
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