CID 218677

41166-88-5

Structural Information

Molecular Formula
C21H29N2O
SMILES
CC(C)C1CCC(C1)(CC2=[N+](C=CC3C2NC4=CC=CC=C34)C)O
InChI
InChI=1S/C21H29N2O/c1-14(2)15-8-10-21(24,12-15)13-19-20-17(9-11-23(19)3)16-6-4-5-7-18(16)22-20/h4-7,9,11,14-15,17,20,22,24H,8,10,12-13H2,1-3H3/q+1
InChIKey
HEKBHOLYWUOOMM-UHFFFAOYSA-N
Compound name
1-[(2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3-propan-2-ylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.228 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.235276 184.7
[M+Na]+ 348.217218 190.7
[M-H]- 324.220724 188.0
[M+NH4]+ 343.261823 202.2
[M+K]+ 364.191158 178.7
[M+H-H2O]+ 308.225260 179.7
[M+HCOO]- 370.226201 196.7
[M+CH3COO]- 384.241851 199.9
[M+Na-2H]- 346.202666 184.7
[M]+ 325.22745142 179.8
[M]- 325.22854858 179.8
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.