CID 205937

Brn 3995594

Structural Information

Molecular Formula
C23H23NOS
SMILES
C1=CC=C(C=C1)CC(CSCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H23NOS/c25-23(21-14-8-3-9-15-21)24-22(16-19-10-4-1-5-11-19)18-26-17-20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,24,25)
InChIKey
IXANRAZLRDLXSO-UHFFFAOYSA-N
Compound name
N-(1-benzylsulfanyl-3-phenylpropan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15002 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15730 186.2
[M+Na]+ 384.13924 200.3
[M+NH4]+ 379.18384 195.3
[M+K]+ 400.11318 188.5
[M-H]- 360.14274 194.1
[M+Na-2H]- 382.12469 197.8
[M]+ 361.14947 191.1
[M]- 361.15057 191.1
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.