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 174.1
[M+Na]+ 333.11292 183.2
[M-H]- 309.11642 180.9
[M+NH4]+ 328.15752 190.7
[M+K]+ 349.08686 174.7
[M+H-H2O]+ 293.12096 165.2
[M+HCOO]- 355.12190 189.2
[M+CH3COO]- 369.13755 185.0
[M+Na-2H]- 331.09837 174.3
[M]+ 310.12315 173.8
[M]- 310.12425 173.8
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