CID 29437

19133-99-4

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

2
Patents

290.17828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.185556 169.7
[M+Na]+ 313.167498 177.6
[M-H]- 289.171004 176.8
[M+NH4]+ 308.212103 186.4
[M+K]+ 329.141438 170.4
[M+H-H2O]+ 273.175540 160.8
[M+HCOO]- 335.176481 189.3
[M+CH3COO]- 349.192131 180.8
[M+Na-2H]- 311.152946 170.2
[M]+ 290.17773142 167.7
[M]- 290.17882858 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