CID 5466764

Nsc642623

Structural Information

Molecular Formula
C25H24N4O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C(=C/C2=CC=C(C=C2)NC(=O)C)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H24N4O5S/c1-17-8-14-22(15-9-17)35(33,34)29-28-25(32)23(27-24(31)20-6-4-3-5-7-20)16-19-10-12-21(13-11-19)26-18(2)30/h3-16,29H,1-2H3,(H,26,30)(H,27,31)(H,28,32)/b23-16-
InChIKey
XGWJBMBZOJGSOD-KQWNVCNZSA-N
Compound name
N-[(Z)-1-(4-acetamidophenyl)-3-[2-(4-methylphenyl)sulfonylhydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.14673 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.15401 214.5
[M+Na]+ 515.13595 215.4
[M-H]- 491.13945 222.7
[M+NH4]+ 510.18055 219.1
[M+K]+ 531.10989 211.1
[M+H-H2O]+ 475.14399 203.9
[M+HCOO]- 537.14493 231.5
[M+CH3COO]- 551.16058 245.0
[M+Na-2H]- 513.12140 216.3
[M]+ 492.14618 214.3
[M]- 492.14728 214.3
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.