CID 135497698

Fenobam

Structural Information

Molecular Formula
C11H11ClN4O2
SMILES
CN1CC(=O)NC1=NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
InChIKey
DWPQODZAOSWNHB-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

71
References

3087
Patents

266.05707 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06435 159.0
[M+Na]+ 289.04629 167.1
[M-H]- 265.04979 163.3
[M+NH4]+ 284.09089 174.9
[M+K]+ 305.02023 162.2
[M+H-H2O]+ 249.05433 151.1
[M+HCOO]- 311.05527 177.1
[M+CH3COO]- 325.07092 196.7
[M+Na-2H]- 287.03174 161.1
[M]+ 266.05652 157.6
[M]- 266.05762 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe