CID 135770476

Semicarbazide, 4-(p-chlorophenyl)-1-(2-pyrrolylmethylene)-

Structural Information

Molecular Formula
C12H11ClN4O
SMILES
C1=CNC(=C1)/C=N/NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN4O/c13-9-3-5-10(6-4-9)16-12(18)17-15-8-11-2-1-7-14-11/h1-8,14H,(H2,16,17,18)/b15-8+
InChIKey
ROGXUQMANPMNEH-OVCLIPMQSA-N
Compound name
1-(4-chlorophenyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.06213 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06941 157.6
[M+Na]+ 285.05135 164.4
[M-H]- 261.05485 163.0
[M+NH4]+ 280.09595 174.3
[M+K]+ 301.02529 158.9
[M+H-H2O]+ 245.05939 149.5
[M+HCOO]- 307.06033 180.2
[M+CH3COO]- 321.07598 197.6
[M+Na-2H]- 283.03680 163.1
[M]+ 262.06158 156.8
[M]- 262.06268 156.8
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

No patent data available for this compound.