CID 215637

Guanidine, ((p-chlorophenyl)sulfonyl)phenylcarbamoyl-

Structural Information

Molecular Formula
C14H13ClN4O3S
SMILES
C1=CC(=CC=C1NC(=O)N=C(N)N)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN4O3S/c15-9-1-5-11(6-2-9)23(21,22)12-7-3-10(4-8-12)18-14(20)19-13(16)17/h1-8H,(H5,16,17,18,19,20)
InChIKey
ZJUPGTACXKZJIA-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)sulfonylphenyl]-3-(diaminomethylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0397 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04698 177.6
[M+Na]+ 375.02892 184.2
[M-H]- 351.03242 184.9
[M+NH4]+ 370.07352 190.5
[M+K]+ 391.00286 178.7
[M+H-H2O]+ 335.03696 170.3
[M+HCOO]- 397.03790 194.1
[M+CH3COO]- 411.05355 216.8
[M+Na-2H]- 373.01437 180.4
[M]+ 352.03915 178.3
[M]- 352.04025 178.3
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.