CID 42909011

4-(2,3-dihydro-1h-indole-1-carbonyl)-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C20H20N2O2S
SMILES
CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N3CCC4=CC=CC=C43
InChI
InChI=1S/C20H20N2O2S/c1-25-17-7-4-6-16(12-17)22-13-15(11-19(22)23)20(24)21-10-9-14-5-2-3-8-18(14)21/h2-8,12,15H,9-11,13H2,1H3
InChIKey
XCGUCBXFHDMFPE-UHFFFAOYSA-N
Compound name
4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.12454 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13182 183.0
[M+Na]+ 375.11376 195.2
[M+NH4]+ 370.15836 191.3
[M+K]+ 391.08770 189.4
[M-H]- 351.11726 187.6
[M+Na-2H]- 373.09921 188.6
[M]+ 352.12399 186.5
[M]- 352.12509 186.5
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.

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No patent data available for this compound.