CID 154732273

(+/-)-cis-8-methoxy-2,3,4,4a,5,9b-hexahydro-1h-pyrido[4,3-b]indole-2-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CCOC(=O)N1CC[C@@H]2[C@H](C1)C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C15H20N2O3/c1-3-20-15(18)17-7-6-14-12(9-17)11-8-10(19-2)4-5-13(11)16-14/h4-5,8,12,14,16H,3,6-7,9H2,1-2H3/t12-,14-/m1/s1
InChIKey
NBQZPZSBYTVKNQ-TZMCWYRMSA-N
Compound name
ethyl (4aR,9bS)-8-methoxy-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 165.1
[M+Na]+ 299.13662 171.6
[M-H]- 275.14012 165.8
[M+NH4]+ 294.18122 181.8
[M+K]+ 315.11056 167.9
[M+H-H2O]+ 259.14466 157.6
[M+HCOO]- 321.14560 179.3
[M+CH3COO]- 335.16125 196.7
[M+Na-2H]- 297.12207 166.8
[M]+ 276.14685 164.2
[M]- 276.14795 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.