CID 215636

4-fluorophenyl 4'-(guanidinoformamido)phenyl sulfone

Structural Information

Molecular Formula
C14H13FN4O3S
SMILES
C1=CC(=CC=C1NC(=O)N=C(N)N)S(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H13FN4O3S/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
MWXHEEWOFSYMOZ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-[4-(4-fluorophenyl)sulfonylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.06924 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07652 172.6
[M+Na]+ 359.05846 178.5
[M-H]- 335.06196 178.3
[M+NH4]+ 354.10306 185.0
[M+K]+ 375.03240 174.1
[M+H-H2O]+ 319.06650 163.0
[M+HCOO]- 381.06744 192.3
[M+CH3COO]- 395.08309 215.9
[M+Na-2H]- 357.04391 175.3
[M]+ 336.06869 169.8
[M]- 336.06979 169.8
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.