CID 24212632

N-(2-chloro-4-(3-chloro-4-((3-thienylcarbonyl)amino)benzyl)phenyl)-3-thiophenecarboxamide

Structural Information

Molecular Formula
C23H16Cl2N2O2S2
SMILES
C1=CC(=C(C=C1CC2=CC(=C(C=C2)NC(=O)C3=CSC=C3)Cl)Cl)NC(=O)C4=CSC=C4
InChI
InChI=1S/C23H16Cl2N2O2S2/c24-18-10-14(1-3-20(18)26-22(28)16-5-7-30-12-16)9-15-2-4-21(19(25)11-15)27-23(29)17-6-8-31-13-17/h1-8,10-13H,9H2,(H,26,28)(H,27,29)
InChIKey
BSMAJUWBKDHRBP-UHFFFAOYSA-N
Compound name
N-[2-chloro-4-[[3-chloro-4-(thiophene-3-carbonylamino)phenyl]methyl]phenyl]thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.00302 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.01030 214.4
[M+Na]+ 508.99224 224.2
[M-H]- 484.99574 228.0
[M+NH4]+ 504.03684 227.5
[M+K]+ 524.96618 215.3
[M+H-H2O]+ 469.00028 208.9
[M+HCOO]- 531.00122 222.7
[M+CH3COO]- 545.01687 223.9
[M+Na-2H]- 506.97769 210.5
[M]+ 486.00247 222.6
[M]- 486.00357 222.6
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.