CID 6382626

Nsc241133

Structural Information

Molecular Formula
C19H18N2O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C2=CC=CC=C2)/C3=C(SC=C3)C
InChI
InChI=1S/C19H18N2O2S2/c1-14-8-10-17(11-9-14)25(22,23)21-20-19(16-6-4-3-5-7-16)18-12-13-24-15(18)2/h3-13,21H,1-2H3/b20-19+
InChIKey
KLXYCVZDRDKZKE-FMQUCBEESA-N
Compound name
4-methyl-N-[(E)-[(2-methylthiophen-3-yl)-phenylmethylidene]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.08096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08824 187.5
[M+Na]+ 393.07018 195.2
[M-H]- 369.07368 198.5
[M+NH4]+ 388.11478 202.1
[M+K]+ 409.04412 188.6
[M+H-H2O]+ 353.07822 179.6
[M+HCOO]- 415.07916 203.7
[M+CH3COO]- 429.09481 217.4
[M+Na-2H]- 391.05563 188.8
[M]+ 370.08041 190.6
[M]- 370.08151 190.6
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.