CID 5387993

Nsc630350

Structural Information

Molecular Formula
C18H19N3O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN/C(=C\2/C(=NC3=CC=CC=C3S2)C)/C
InChI
InChI=1S/C18H19N3O2S2/c1-12-8-10-15(11-9-12)25(22,23)21-20-14(3)18-13(2)19-16-6-4-5-7-17(16)24-18/h4-11,20-21H,1-3H3/b18-14-
InChIKey
YLVBVANUEDPXBB-JXAWBTAJSA-N
Compound name
4-methyl-N'-[(1Z)-1-(3-methyl-1,4-benzothiazin-2-ylidene)ethyl]benzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.09186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09914 182.4
[M+Na]+ 396.08108 189.3
[M-H]- 372.08458 187.5
[M+NH4]+ 391.12568 194.1
[M+K]+ 412.05502 181.8
[M+H-H2O]+ 356.08912 174.5
[M+HCOO]- 418.09006 192.2
[M+CH3COO]- 432.10571 218.4
[M+Na-2H]- 394.06653 186.5
[M]+ 373.09131 183.2
[M]- 373.09241 183.2
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.