CID 5240416

85516-81-0

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)N)C
InChI
InChI=1S/C10H11N3O/c1-6-3-4-9-8(5-6)10(14)13(11)7(2)12-9/h3-5H,11H2,1-2H3
InChIKey
VGBOBZPIBZPNPS-UHFFFAOYSA-N
Compound name
3-amino-2,6-dimethylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.6
[M+Na]+ 212.07943 151.4
[M-H]- 188.08293 142.3
[M+NH4]+ 207.12403 158.1
[M+K]+ 228.05337 147.5
[M+H-H2O]+ 172.08747 132.5
[M+HCOO]- 234.08841 161.9
[M+CH3COO]- 248.10406 187.3
[M+Na-2H]- 210.06488 147.0
[M]+ 189.08966 140.4
[M]- 189.09076 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.