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 163.5
[M+Na]+ 288.14712 173.7
[M-H]- 264.15062 167.7
[M+NH4]+ 283.19172 181.5
[M+K]+ 304.12106 167.0
[M+H-H2O]+ 248.15516 155.1
[M+HCOO]- 310.15610 181.2
[M+CH3COO]- 324.17175 175.1
[M+Na-2H]- 286.13257 165.2
[M]+ 265.15735 162.8
[M]- 265.15845 162.8
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

No patent data available for this compound.