CID 5925842

Nsc18097

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
C/C(=N/NS(=O)(=O)C1=CC=C(C=C1)N)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H17N3O2S/c1-13(7-8-14-5-3-2-4-6-14)18-19-22(20,21)16-11-9-15(17)10-12-16/h2-12,19H,17H2,1H3/b8-7+,18-13-
InChIKey
BYOFGONJROZYIA-JZYRRUABSA-N
Compound name
4-amino-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10416 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11144 172.1
[M+Na]+ 338.09338 177.8
[M-H]- 314.09688 179.2
[M+NH4]+ 333.13798 186.1
[M+K]+ 354.06732 172.4
[M+H-H2O]+ 298.10142 163.5
[M+HCOO]- 360.10236 192.9
[M+CH3COO]- 374.11801 210.6
[M+Na-2H]- 336.07883 176.2
[M]+ 315.10361 171.7
[M]- 315.10471 171.7
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.