CID 210123

Brn 0419837

Structural Information

Molecular Formula
C18H21N3OS
SMILES
CN(C1=CC=CC=C1)SC2CCN(C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H21N3OS/c1-20(16-10-6-3-7-11-16)23-17-12-13-21(14-17)18(22)19-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,19,22)
InChIKey
HVQSKHFNZBKDJW-UHFFFAOYSA-N
Compound name
3-(N-methylanilino)sulfanyl-N-phenylpyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14053 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14781 175.8
[M+Na]+ 350.12975 186.5
[M+NH4]+ 345.17435 184.3
[M+K]+ 366.10369 179.1
[M-H]- 326.13325 182.4
[M+Na-2H]- 348.11520 184.6
[M]+ 327.13998 179.5
[M]- 327.14108 179.5
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.