CID 44473434

1203680-76-5

Structural Information

Molecular Formula
C20H18ClNO2S
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H18ClNO2S/c1-14(16-5-3-2-4-6-16)22-20(23)19-18(11-12-25-19)24-13-15-7-9-17(21)10-8-15/h2-12,14H,13H2,1H3,(H,22,23)/t14-/m0/s1
InChIKey
RFZPGNRLOKVZJY-AWEZNQCLSA-N
Compound name
3-[(4-chlorophenyl)methoxy]-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

1
Patents

371.07468 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.08196 187.6
[M+Na]+ 394.06390 194.6
[M-H]- 370.06740 197.6
[M+NH4]+ 389.10850 202.4
[M+K]+ 410.03784 188.1
[M+H-H2O]+ 354.07194 180.2
[M+HCOO]- 416.07288 202.2
[M+CH3COO]- 430.08853 214.3
[M+Na-2H]- 392.04935 186.1
[M]+ 371.07413 192.7
[M]- 371.07523 192.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe