CID 135530878

848369-52-8

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

19
Patents

208.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.047616 140.5
[M+Na]+ 231.029558 152.4
[M-H]- 207.033064 141.5
[M+NH4]+ 226.074163 158.6
[M+K]+ 247.003498 146.4
[M+H-H2O]+ 191.037600 134.2
[M+HCOO]- 253.038541 156.2
[M+CH3COO]- 267.054191 153.6
[M+Na-2H]- 229.015006 148.3
[M]+ 208.03979142 142.5
[M]- 208.04088858 142.5
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