CID 113040

Einecs 263-904-6

Structural Information

Molecular Formula
C24H25ClN4O3S
SMILES
CCN(CC1=CC=CC=C1)C2=CC=CC(=C2)NC(=O)CN=NC3=C(C=C(C=C3)S(=O)(=O)C)Cl
InChI
InChI=1S/C24H25ClN4O3S/c1-3-29(17-18-8-5-4-6-9-18)20-11-7-10-19(14-20)27-24(30)16-26-28-23-13-12-21(15-22(23)25)33(2,31)32/h4-15H,3,16-17H2,1-2H3,(H,27,30)
InChIKey
OCZYDPDMWMVEFX-UHFFFAOYSA-N
Compound name
N-[3-[benzyl(ethyl)amino]phenyl]-2-[(2-chloro-4-methylsulfonylphenyl)diazenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.13358 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.14086 216.8
[M+Na]+ 507.12280 221.9
[M-H]- 483.12630 229.6
[M+NH4]+ 502.16740 225.7
[M+K]+ 523.09674 216.6
[M+H-H2O]+ 467.13084 206.0
[M+HCOO]- 529.13178 235.3
[M+CH3COO]- 543.14743 249.3
[M+Na-2H]- 505.10825 219.7
[M]+ 484.13303 224.5
[M]- 484.13413 224.5
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.