CID 135530878

2-(chloromethyl)-8-methylquinazolin-4(3h)-one

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC1=C2C(=CC=C1)C(=O)NC(=N2)CCl
InChI
InChI=1S/C10H9ClN2O/c1-6-3-2-4-7-9(6)12-8(5-11)13-10(7)14/h2-4H,5H2,1H3,(H,12,13,14)
InChIKey
LTOSAQRHTJQRRM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-8-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

208.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 140.7
[M+Na]+ 231.02956 157.1
[M+NH4]+ 226.07416 149.6
[M+K]+ 247.00350 149.1
[M-H]- 207.03306 142.6
[M+Na-2H]- 229.01501 148.1
[M]+ 208.03979 143.9
[M]- 208.04089 143.9
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

patents stripe