CID 5281361

Brevicolline, hydrochloride

Structural Information

Molecular Formula
C17H19N3
SMILES
CC1=NC=C(C2=C1NC3=CC=CC=C32)[C@@H]4CCCN4C
InChI
InChI=1S/C17H19N3/c1-11-17-16(12-6-3-4-7-14(12)19-17)13(10-18-11)15-8-5-9-20(15)2/h3-4,6-7,10,15,19H,5,8-9H2,1-2H3/t15-/m0/s1
InChIKey
DIZAFWUMCZPYGF-HNNXBMFYSA-N
Compound name
1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

265.1579 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 162.7
[M+Na]+ 288.14712 177.3
[M+NH4]+ 283.19172 171.9
[M+K]+ 304.12106 172.7
[M-H]- 264.15062 166.3
[M+Na-2H]- 286.13257 168.8
[M]+ 265.15735 165.8
[M]- 265.15845 165.8
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

Patent stripe

patents stripe