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]+ 269.201216 167.0
[M+Na]+ 291.183158 174.6
[M-H]- 267.186664 168.6
[M+NH4]+ 286.227763 187.4
[M+K]+ 307.157098 166.8
[M+H-H2O]+ 251.191200 158.1
[M+HCOO]- 313.192141 178.9
[M+CH3COO]- 327.207791 176.5
[M+Na-2H]- 289.168606 171.5
[M]+ 268.19339142 159.5
[M]- 268.19448858 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.