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 187.1
[M+Na]+ 384.13924 190.3
[M-H]- 360.14274 195.3
[M+NH4]+ 379.18384 198.7
[M+K]+ 400.11318 183.6
[M+H-H2O]+ 344.14728 177.4
[M+HCOO]- 406.14822 204.1
[M+CH3COO]- 420.16387 195.8
[M+Na-2H]- 382.12469 188.6
[M]+ 361.14947 187.4
[M]- 361.15057 187.4
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.