CID 29466

3-(1-benzylpyrrolidin-2-yl)-1h-indole

Structural Information

Molecular Formula
C19H20N2
SMILES
C1CC(N(C1)CC2=CC=CC=C2)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C19H20N2/c1-2-7-15(8-3-1)14-21-12-6-11-19(21)17-13-20-18-10-5-4-9-16(17)18/h1-5,7-10,13,19-20H,6,11-12,14H2
InChIKey
UORKEUUXJMNISC-UHFFFAOYSA-N
Compound name
3-(1-benzylpyrrolidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16266 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16994 164.6
[M+Na]+ 299.15188 172.1
[M-H]- 275.15538 171.5
[M+NH4]+ 294.19648 181.6
[M+K]+ 315.12582 165.2
[M+H-H2O]+ 259.15992 155.6
[M+HCOO]- 321.16086 184.6
[M+CH3COO]- 335.17651 175.8
[M+Na-2H]- 297.13733 166.5
[M]+ 276.16211 161.9
[M]- 276.16321 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

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