CID 135770478

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

Structural Information

Molecular Formula
C12H13N5O3S
SMILES
C1=CNC(=C1)/C=N/NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C12H13N5O3S/c13-21(19,20)11-5-3-9(4-6-11)16-12(18)17-15-8-10-2-1-7-14-10/h1-8,14H,(H2,13,19,20)(H2,16,17,18)/b15-8+
InChIKey
QBNJSFQISQWMQH-OVCLIPMQSA-N
Compound name
1-[(E)-1H-pyrrol-2-ylmethylideneamino]-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08118 165.3
[M+Na]+ 330.06312 171.2
[M-H]- 306.06662 170.6
[M+NH4]+ 325.10772 179.1
[M+K]+ 346.03706 166.7
[M+H-H2O]+ 290.07116 156.9
[M+HCOO]- 352.07210 186.7
[M+CH3COO]- 366.08775 205.8
[M+Na-2H]- 328.04857 170.1
[M]+ 307.07335 163.7
[M]- 307.07445 163.7
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.