CID 5469764

Nsc692419

Structural Information

Molecular Formula
C14H15N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C)\C2=CC=CC=N2
InChI
InChI=1S/C14H15N3O2S/c1-11-6-8-13(9-7-11)20(18,19)17-16-12(2)14-5-3-4-10-15-14/h3-10,17H,1-2H3/b16-12-
InChIKey
KUXKEXQWKKRQNS-VBKFSLOCSA-N
Compound name
4-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0885 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09578 164.6
[M+Na]+ 312.07772 171.8
[M-H]- 288.08122 171.4
[M+NH4]+ 307.12232 179.0
[M+K]+ 328.05166 167.5
[M+H-H2O]+ 272.08576 155.9
[M+HCOO]- 334.08670 184.3
[M+CH3COO]- 348.10235 204.1
[M+Na-2H]- 310.06317 170.2
[M]+ 289.08795 166.5
[M]- 289.08905 166.5
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.