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 167.0
[M+Na]+ 291.18316 174.6
[M-H]- 267.18666 168.6
[M+NH4]+ 286.22776 187.4
[M+K]+ 307.15710 166.8
[M+H-H2O]+ 251.19120 158.1
[M+HCOO]- 313.19214 178.9
[M+CH3COO]- 327.20779 176.5
[M+Na-2H]- 289.16861 171.5
[M]+ 268.19339 159.5
[M]- 268.19449 159.5
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.