CID 14807234

2,3-dihydro-2-methyl-4(1h)-quinazolinone

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1NC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C9H10N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-6,10H,1H3,(H,11,12)
InChIKey
PPEWCSSFVFQSCD-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

162.07932 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 134.0
[M+Na]+ 185.068538 142.2
[M-H]- 161.072044 133.0
[M+NH4]+ 180.113143 151.9
[M+K]+ 201.042478 137.6
[M+H-H2O]+ 145.076580 127.4
[M+HCOO]- 207.077521 150.3
[M+CH3COO]- 221.093171 145.8
[M+Na-2H]- 183.053986 141.1
[M]+ 162.07877142 128.6
[M]- 162.07986858 128.6
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