CID 8899668

2-(chloromethyl)-3-methyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CN1C(=NC2=CC=CC=C2C1=O)CCl
InChI
InChI=1S/C10H9ClN2O/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3
InChIKey
NDYMABNTFFJQLH-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

208.04034 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 139.9
[M+Na]+ 231.02956 152.2
[M-H]- 207.03306 142.3
[M+NH4]+ 226.07416 158.7
[M+K]+ 247.00350 147.1
[M+H-H2O]+ 191.03760 133.2
[M+HCOO]- 253.03854 157.1
[M+CH3COO]- 267.05419 153.7
[M+Na-2H]- 229.01501 148.2
[M]+ 208.03979 143.8
[M]- 208.04089 143.8
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