CID 3821783

N-(4-((4-chlorophenyl)thio)phenyl)-4-ethoxybenzamide

Structural Information

Molecular Formula
C21H18ClNO2S
SMILES
CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H18ClNO2S/c1-2-25-18-9-3-15(4-10-18)21(24)23-17-7-13-20(14-8-17)26-19-11-5-16(22)6-12-19/h3-14H,2H2,1H3,(H,23,24)
InChIKey
ADHKIXCHNKNXQC-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)sulfanylphenyl]-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.07468 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.08196 188.2
[M+Na]+ 406.06390 195.8
[M-H]- 382.06740 197.9
[M+NH4]+ 401.10850 200.8
[M+K]+ 422.03784 188.4
[M+H-H2O]+ 366.07194 179.8
[M+HCOO]- 428.07288 202.6
[M+CH3COO]- 442.08853 198.5
[M+Na-2H]- 404.04935 189.4
[M]+ 383.07413 193.5
[M]- 383.07523 193.5
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.