CID 29439

19134-01-1

Structural Information

Molecular Formula
C19H19BrN2
SMILES
C1CC(N(C1)CC2=CC=CC=C2)C3=CNC4=C3C=C(C=C4)Br
InChI
InChI=1S/C19H19BrN2/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
FDJZYGCHNXTESV-UHFFFAOYSA-N
Compound name
3-(1-benzylpyrrolidin-2-yl)-5-bromo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07315 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08043 180.5
[M+Na]+ 377.06237 191.5
[M-H]- 353.06587 190.1
[M+NH4]+ 372.10697 198.4
[M+K]+ 393.03631 178.1
[M+H-H2O]+ 337.07041 179.0
[M+HCOO]- 399.07135 198.3
[M+CH3COO]- 413.08700 193.0
[M+Na-2H]- 375.04782 182.3
[M]+ 354.07260 196.9
[M]- 354.07370 196.9
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