CID 389125

Nsc684810

Structural Information

Molecular Formula
C15H17N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNCNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H17N3O3S/c1-12-7-9-14(10-8-12)22(20,21)18-17-11-16-15(19)13-5-3-2-4-6-13/h2-10,17-18H,11H2,1H3,(H,16,19)
InChIKey
XJCVCBOMIPBXLM-UHFFFAOYSA-N
Compound name
N-[[2-(4-methylphenyl)sulfonylhydrazinyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.09906 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10634 170.4
[M+Na]+ 342.08828 175.4
[M-H]- 318.09178 176.7
[M+NH4]+ 337.13288 183.6
[M+K]+ 358.06222 170.9
[M+H-H2O]+ 302.09632 161.9
[M+HCOO]- 364.09726 190.7
[M+CH3COO]- 378.11291 209.5
[M+Na-2H]- 340.07373 175.9
[M]+ 319.09851 171.0
[M]- 319.09961 171.0
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.