CID 23725123

857290-04-1

Structural Information

Molecular Formula
C18H14N4O2S
SMILES
C1=CC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N
InChI
InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)
InChIKey
ZESFDAKNYJQYKO-UHFFFAOYSA-N
Compound name
N-(6-aminopyridin-2-yl)-4-(4-cyanophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

30
Patents

350.08374 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09102 194.3
[M+Na]+ 373.07296 204.3
[M-H]- 349.07646 200.4
[M+NH4]+ 368.11756 203.6
[M+K]+ 389.04690 196.6
[M+H-H2O]+ 333.08100 178.3
[M+HCOO]- 395.08194 208.5
[M+CH3COO]- 409.09759 202.1
[M+Na-2H]- 371.05841 196.9
[M]+ 350.08319 188.5
[M]- 350.08429 188.5
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