CID 215638

((p-bromophenyl)sulfonyl)phenylcarbamoylguanidine

Structural Information

Molecular Formula
C14H13BrN4O3S
SMILES
C1=CC(=CC=C1NC(=O)N=C(N)N)S(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H13BrN4O3S/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
PTLQKHQTJCTUCI-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)sulfonylphenyl]-3-(diaminomethylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.98917 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.99645 170.4
[M+Na]+ 418.97839 178.7
[M-H]- 394.98189 179.3
[M+NH4]+ 414.02299 184.1
[M+K]+ 434.95233 165.4
[M+H-H2O]+ 378.98643 166.5
[M+HCOO]- 440.98737 188.5
[M+CH3COO]- 455.00302 220.9
[M+Na-2H]- 416.96384 175.2
[M]+ 395.98862 186.9
[M]- 395.98972 186.9
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.