CID 3048938

1-acetyl-1'-benzylspiro(indoline-3,3'-pyrrolidine) oxalate

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC(=O)N1CC2(CCN(C2)CC3=CC=CC=C3)C4=CC=CC=C41
InChI
InChI=1S/C20H22N2O/c1-16(23)22-15-20(18-9-5-6-10-19(18)22)11-12-21(14-20)13-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3
InChIKey
LDZNJHQPEYNJFJ-UHFFFAOYSA-N
Compound name
1-(1'-benzylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.180496 176.3
[M+Na]+ 329.162438 183.3
[M-H]- 305.165944 183.2
[M+NH4]+ 324.207043 194.9
[M+K]+ 345.136378 177.7
[M+H-H2O]+ 289.170480 167.1
[M+HCOO]- 351.171421 193.9
[M+CH3COO]- 365.187071 186.8
[M+Na-2H]- 327.147886 176.1
[M]+ 306.17267142 173.7
[M]- 306.17376858 173.7
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.