CID 135449002

145475-35-0

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
C1CCC2=C(C1)C(=O)NC(=N2)CCl
InChI
InChI=1S/C9H11ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-5H2,(H,11,12,13)
InChIKey
YOEVSDYLLYABRV-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.05598 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 139.1
[M+Na]+ 221.04520 148.4
[M-H]- 197.04870 139.2
[M+NH4]+ 216.08980 157.2
[M+K]+ 237.01914 143.1
[M+H-H2O]+ 181.05324 132.7
[M+HCOO]- 243.05418 152.3
[M+CH3COO]- 257.06983 151.1
[M+Na-2H]- 219.03065 146.2
[M]+ 198.05543 137.5
[M]- 198.05653 137.5
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