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]+ 327.152576 178.2
[M+Na]+ 349.134518 182.7
[M-H]- 325.138024 187.3
[M+NH4]+ 344.179123 193.0
[M+K]+ 365.108458 178.5
[M+H-H2O]+ 309.142560 169.0
[M+HCOO]- 371.143501 195.0
[M+CH3COO]- 385.159151 188.4
[M+Na-2H]- 347.119966 176.8
[M]+ 326.14475142 178.4
[M]- 326.14584858 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.