CID 9589554

Semicarbazide, 1-((1-methyl-2-pyrrolyl)methylene)-4-(p-sulfamoylphenyl)-

Structural Information

Molecular Formula
C13H15N5O3S
SMILES
CN1C=CC=C1/C=N/NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C13H15N5O3S/c1-18-8-2-3-11(18)9-15-17-13(19)16-10-4-6-12(7-5-10)22(14,20)21/h2-9H,1H3,(H2,14,20,21)(H2,16,17,19)/b15-9+
InChIKey
PQYYFGBIHKXAFE-OQLLNIDSSA-N
Compound name
1-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.08957 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09685 171.0
[M+Na]+ 344.07879 177.7
[M-H]- 320.08229 177.9
[M+NH4]+ 339.12339 185.2
[M+K]+ 360.05273 173.9
[M+H-H2O]+ 304.08683 162.4
[M+HCOO]- 366.08777 193.5
[M+CH3COO]- 380.10342 212.2
[M+Na-2H]- 342.06424 174.9
[M]+ 321.08902 172.0
[M]- 321.09012 172.0
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.