CID 135409706

178308-51-5

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
C1CCC2=C(C1)C(=O)NC(=N2)Cl
InChI
InChI=1S/C8H9ClN2O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H2,(H,10,11,12)
InChIKey
LIERYUHZPPRHIS-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

184.04034 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 134.5
[M+Na]+ 207.02956 144.2
[M-H]- 183.03306 134.8
[M+NH4]+ 202.07416 153.1
[M+K]+ 223.00350 139.2
[M+H-H2O]+ 167.03760 128.3
[M+HCOO]- 229.03854 148.0
[M+CH3COO]- 243.05419 147.0
[M+Na-2H]- 205.01501 142.1
[M]+ 184.03979 132.6
[M]- 184.04089 132.6
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