CID 9555830

Nsc638223

Structural Information

Molecular Formula
C26H25N5O5S
SMILES
COC1=CC=C(C=C1)NC(=O)CC(=O)N/N=C/C2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H25N5O5S/c1-36-23-14-10-21(11-15-23)29-25(32)18-26(33)30-28-19-20-8-12-22(13-9-20)31(17-5-16-27)37(34,35)24-6-3-2-4-7-24/h2-4,6-15,19H,5,17-18H2,1H3,(H,29,32)(H,30,33)/b28-19+
InChIKey
UNEBXIWNOZEPTE-TURZUDJPSA-N
Compound name
N'-[(E)-[4-[benzenesulfonyl(2-cyanoethyl)amino]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.15765 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.16493 237.6
[M+Na]+ 542.14687 241.2
[M-H]- 518.15037 245.5
[M+NH4]+ 537.19147 241.3
[M+K]+ 558.12081 236.7
[M+H-H2O]+ 502.15491 219.3
[M+HCOO]- 564.15585 253.2
[M+CH3COO]- 578.17150 257.9
[M+Na-2H]- 540.13232 237.9
[M]+ 519.15710 235.7
[M]- 519.15820 235.7
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.