CID 4518743

3-(2-chloroethyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CCCl
InChI
InChI=1S/C10H9ClN2O/c11-5-6-13-7-12-9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2
InChIKey
NJCVGJQMNUHBCF-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

208.04034 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.047616 139.9
[M+Na]+ 231.029558 151.2
[M-H]- 207.033064 141.9
[M+NH4]+ 226.074163 158.4
[M+K]+ 247.003498 146.1
[M+H-H2O]+ 191.037600 132.9
[M+HCOO]- 253.038541 157.1
[M+CH3COO]- 267.054191 153.3
[M+Na-2H]- 229.015006 149.0
[M]+ 208.03979142 143.4
[M]- 208.04088858 143.4
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