CID 6376283

31789-97-6

Structural Information

Molecular Formula
C19H14ClN3O4S
SMILES
C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)Cl)/NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14ClN3O4S/c20-15-6-12-18(13-7-15)28(26,27)22-19(14-4-2-1-3-5-14)21-16-8-10-17(11-9-16)23(24)25/h1-13H,(H,21,22)
InChIKey
WNHRRIUCAWPOLD-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.03937 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.04665 188.4
[M+Na]+ 438.02859 202.8
[M+NH4]+ 433.07319 195.6
[M+K]+ 454.00253 195.9
[M-H]- 414.03209 196.1
[M+Na-2H]- 436.01404 199.4
[M]+ 415.03882 193.3
[M]- 415.03992 193.3
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.