CID 29437

3-(1-benzyl-2-pyrrolidinyl)-7-methylindole

Structural Information

Molecular Formula
C20H22N2
SMILES
CC1=C2C(=CC=C1)C(=CN2)C3CCCN3CC4=CC=CC=C4
InChI
InChI=1S/C20H22N2/c1-15-7-5-10-17-18(13-21-20(15)17)19-11-6-12-22(19)14-16-8-3-2-4-9-16/h2-5,7-10,13,19,21H,6,11-12,14H2,1H3
InChIKey
BDFDPVIJXDROQT-UHFFFAOYSA-N
Compound name
3-(1-benzylpyrrolidin-2-yl)-7-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.17828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 169.7
[M+Na]+ 313.16750 177.6
[M-H]- 289.17100 176.8
[M+NH4]+ 308.21210 186.4
[M+K]+ 329.14144 170.4
[M+H-H2O]+ 273.17554 160.8
[M+HCOO]- 335.17648 189.3
[M+CH3COO]- 349.19213 180.8
[M+Na-2H]- 311.15295 170.2
[M]+ 290.17773 167.7
[M]- 290.17883 167.7
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

patents stripe