CID 3060092

77711-45-6

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)CN3CCCC3
InChI
InChI=1S/C19H22N2OS/c1-20(19(22)15-21-13-5-6-14-21)16-9-11-18(12-10-16)23-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-15H2,1H3
InChIKey
XDJWSBMMQWWPSU-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1453 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 178.2
[M+Na]+ 349.13452 182.7
[M-H]- 325.13802 187.3
[M+NH4]+ 344.17912 193.0
[M+K]+ 365.10846 178.5
[M+H-H2O]+ 309.14256 169.0
[M+HCOO]- 371.14350 195.0
[M+CH3COO]- 385.15915 188.4
[M+Na-2H]- 347.11997 176.8
[M]+ 326.14475 178.4
[M]- 326.14585 178.4
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.