CID 3043928

Benzo(f)quinolin-9-ol, 1,2,3,4,4a,5,6,10b-octahydro-10b-butyl-4-methyl-, hydrobromide, cis-

Structural Information

Molecular Formula
C18H27NO
SMILES
CCCC[C@@]12CCCN([C@@H]1CCC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C18H27NO/c1-3-4-10-18-11-5-12-19(2)17(18)9-7-14-6-8-15(20)13-16(14)18/h6,8,13,17,20H,3-5,7,9-12H2,1-2H3/t17-,18+/m1/s1
InChIKey
NCQOEBPBQPEGAG-MSOLQXFVSA-N
Compound name
(4aR,10bS)-10b-butyl-4-methyl-1,2,3,4a,5,6-hexahydrobenzo[f]quinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 168.3
[M+Na]+ 296.19848 173.8
[M-H]- 272.20198 169.6
[M+NH4]+ 291.24308 186.8
[M+K]+ 312.17242 168.6
[M+H-H2O]+ 256.20652 160.5
[M+HCOO]- 318.20746 180.9
[M+CH3COO]- 332.22311 177.7
[M+Na-2H]- 294.18393 172.2
[M]+ 273.20871 164.5
[M]- 273.20981 164.5
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.