CID 135460982

116836-27-2

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=C2C(=CC=C1)C(=O)NC(=N2)N
InChI
InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)
InChIKey
NLLZAHIPYDRNRQ-UHFFFAOYSA-N
Compound name
2-amino-8-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

175.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 135.3
[M+Na]+ 198.06377 146.1
[M-H]- 174.06727 136.3
[M+NH4]+ 193.10837 153.3
[M+K]+ 214.03771 141.6
[M+H-H2O]+ 158.07181 128.4
[M+HCOO]- 220.07275 156.4
[M+CH3COO]- 234.08840 148.4
[M+Na-2H]- 196.04922 143.6
[M]+ 175.07400 133.4
[M]- 175.07510 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