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]+ 260.20088 163.8
[M+Na]+ 282.18282 169.8
[M-H]- 258.18632 165.4
[M+NH4]+ 277.22742 182.9
[M+K]+ 298.15676 164.8
[M+H-H2O]+ 242.19086 156.2
[M+HCOO]- 304.19180 176.8
[M+CH3COO]- 318.20745 173.7
[M+Na-2H]- 280.16827 168.2
[M]+ 259.19305 159.6
[M]- 259.19415 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.