CID 614559

Spiro(cyclohexane-1,1'-(1h)pyrido(4,3-b)indole), 2',3',4',5'-tetrahydro-3',3'-dimethyl-, monohydrochloride, dihydrate

Structural Information

Molecular Formula
C18H24N2
SMILES
CC1(CC2=C(C3=CC=CC=C3N2)C4(N1)CCCCC4)C
InChI
InChI=1S/C18H24N2/c1-17(2)12-15-16(13-8-4-5-9-14(13)19-15)18(20-17)10-6-3-7-11-18/h4-5,8-9,19-20H,3,6-7,10-12H2,1-2H3
InChIKey
WQHKGDKVBJGGSW-UHFFFAOYSA-N
Compound name
3,3-dimethylspiro[4,5-dihydro-2H-pyrido[4,3-b]indole-1,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.19394 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 166.8
[M+Na]+ 291.18316 179.6
[M+NH4]+ 286.22776 179.5
[M+K]+ 307.15710 168.9
[M-H]- 267.18666 170.2
[M+Na-2H]- 289.16861 174.1
[M]+ 268.19339 170.0
[M]- 268.19449 170.0
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.