CID 29441

3-(1-benzyl-2-pyrrolidinyl)-5-chloroindole hydrochloride

Structural Information

Molecular Formula
C19H19ClN2
SMILES
C1CC(N(C1)CC2=CC=CC=C2)C3=CNC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C19H19ClN2/c20-15-8-9-18-16(11-15)17(12-21-18)19-7-4-10-22(19)13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,19,21H,4,7,10,13H2
InChIKey
MVHRWOLFIKKBBX-UHFFFAOYSA-N
Compound name
3-(1-benzylpyrrolidin-2-yl)-5-chloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1237 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13098 172.8
[M+Na]+ 333.11292 188.7
[M+NH4]+ 328.15752 182.7
[M+K]+ 349.08686 182.1
[M-H]- 309.11642 178.7
[M+Na-2H]- 331.09837 181.8
[M]+ 310.12315 177.2
[M]- 310.12425 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.