CID 3038704

1h-benzo(de)quinolin-6-ol, 2,3,7,8,9,9a-hexahydro-7-amino-5-methoxy-1-methyl-, dihydrochloride, trans-

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC[C@H]3N)O)OC
InChI
InChI=1S/C14H20N2O2/c1-16-6-5-8-7-11(18-2)14(17)13-9(15)3-4-10(16)12(8)13/h7,9-10,17H,3-6,15H2,1-2H3/t9-,10+/m1/s1
InChIKey
XTVJXOZEUKBBOC-ZJUUUORDSA-N
Compound name
(7R,9aS)-7-amino-5-methoxy-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 158.2
[M+Na]+ 271.141698 165.2
[M-H]- 247.145204 159.4
[M+NH4]+ 266.186303 175.9
[M+K]+ 287.115638 161.4
[M+H-H2O]+ 231.149740 151.2
[M+HCOO]- 293.150681 172.7
[M+CH3COO]- 307.166331 198.8
[M+Na-2H]- 269.127146 161.9
[M]+ 248.15193142 155.3
[M]- 248.15302858 155.3
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.