CID 135431271

19178-21-3

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=NC2=C(CCCC2)C(=O)N1
InChI
InChI=1S/C9H12N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H2,1H3,(H,10,11,12)
InChIKey
POZNQGBUFZFKPQ-UHFFFAOYSA-N
Compound name
2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

164.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 133.6
[M+Na]+ 187.08418 142.2
[M-H]- 163.08768 134.0
[M+NH4]+ 182.12878 152.2
[M+K]+ 203.05812 138.6
[M+H-H2O]+ 147.09222 126.7
[M+HCOO]- 209.09316 151.5
[M+CH3COO]- 223.10881 146.1
[M+Na-2H]- 185.06963 141.2
[M]+ 164.09441 130.1
[M]- 164.09551 130.1
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