CID 218679

4a,9a-dihydro-1-(1-hydroxycyclopentylmethyl)-2(or 9)-methyl-9h-pyrido(3,4-b)indolium iodide

Structural Information

Molecular Formula
C18H23N2O
SMILES
C[N+]1=CCC2C3=CC=CC=C3NC2=C1CC4(CCCC4)O
InChI
InChI=1S/C18H23N2O/c1-20-11-8-14-13-6-2-3-7-15(13)19-17(14)16(20)12-18(21)9-4-5-10-18/h2-3,6-7,11,14,19,21H,4-5,8-10,12H2,1H3/q+1
InChIKey
QXLPCWHDBFBMIK-UHFFFAOYSA-N
Compound name
1-[(2-methyl-4a,9-dihydro-4H-pyrido[3,4-b]indol-2-ium-1-yl)methyl]cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.18103 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18831 166.1
[M+Na]+ 306.17025 179.6
[M+NH4]+ 301.21485 177.6
[M+K]+ 322.14419 174.4
[M-H]- 282.17375 170.7
[M+Na-2H]- 304.15570 172.4
[M]+ 283.18048 169.7
[M]- 283.18158 169.7
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.