CID 223187

P-sulfanilylnicotinanilide

Structural Information

Molecular Formula
C18H15N3O3S
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H15N3O3S/c19-14-3-7-16(8-4-14)25(23,24)17-9-5-15(6-10-17)21-18(22)13-2-1-11-20-12-13/h1-12H,19H2,(H,21,22)
InChIKey
GVZPQGDYSJHIEW-UHFFFAOYSA-N
Compound name
N-[4-(4-aminophenyl)sulfonylphenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

353.0834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09068 180.3
[M+Na]+ 376.07262 187.3
[M-H]- 352.07612 188.4
[M+NH4]+ 371.11722 190.7
[M+K]+ 392.04656 181.2
[M+H-H2O]+ 336.08066 170.8
[M+HCOO]- 398.08160 198.2
[M+CH3COO]- 412.09725 212.8
[M+Na-2H]- 374.05807 185.0
[M]+ 353.08285 180.1
[M]- 353.08395 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe