CID 3043924

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

Structural Information

Molecular Formula
C17H25NO
SMILES
CCC[C@@]12CCCN([C@@H]1CCC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C17H25NO/c1-3-9-17-10-4-11-18(2)16(17)8-6-13-5-7-14(19)12-15(13)17/h5,7,12,16,19H,3-4,6,8-11H2,1-2H3/t16-,17+/m1/s1
InChIKey
VIZRWKPUDOYTQJ-SJORKVTESA-N
Compound name
(4aR,10bS)-4-methyl-10b-propyl-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

259.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 163.8
[M+Na]+ 282.182818 169.8
[M-H]- 258.186324 165.4
[M+NH4]+ 277.227423 182.9
[M+K]+ 298.156758 164.8
[M+H-H2O]+ 242.190860 156.2
[M+HCOO]- 304.191801 176.8
[M+CH3COO]- 318.207451 173.7
[M+Na-2H]- 280.168266 168.2
[M]+ 259.19305142 159.6
[M]- 259.19414858 159.6
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.