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

15
Patents

208.04034 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 139.9
[M+Na]+ 231.02956 151.2
[M-H]- 207.03306 141.9
[M+NH4]+ 226.07416 158.4
[M+K]+ 247.00350 146.1
[M+H-H2O]+ 191.03760 132.9
[M+HCOO]- 253.03854 157.1
[M+CH3COO]- 267.05419 153.3
[M+Na-2H]- 229.01501 149.0
[M]+ 208.03979 143.4
[M]- 208.04089 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