CID 6908564

Nsc623231

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
CC1=CC(=C(C(=C1)C)/C=N/NS(=O)(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C16H18N2O2S/c1-12-9-13(2)16(14(3)10-12)11-17-18-21(19,20)15-7-5-4-6-8-15/h4-11,18H,1-3H3/b17-11+
InChIKey
PGXZDRRNQRSPFM-GZTJUZNOSA-N
Compound name
N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1089 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 168.9
[M+Na]+ 325.09812 177.3
[M-H]- 301.10162 177.5
[M+NH4]+ 320.14272 184.8
[M+K]+ 341.07206 172.3
[M+H-H2O]+ 285.10616 160.9
[M+HCOO]- 347.10710 190.2
[M+CH3COO]- 361.12275 209.0
[M+Na-2H]- 323.08357 173.0
[M]+ 302.10835 172.5
[M]- 302.10945 172.5
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.