CID 59317960

1059630-08-8

Structural Information

Molecular Formula
C14H17BrN2O2
SMILES
CCOC(=O)N1CC[C@H]2[C@@H](C1)C3=C(N2)C(=CC=C3)Br
InChI
InChI=1S/C14H17BrN2O2/c1-2-19-14(18)17-7-6-12-10(8-17)9-4-3-5-11(15)13(9)16-12/h3-5,10,12,16H,2,6-8H2,1H3/t10-,12-/m0/s1
InChIKey
YKRFDXKYULKKPS-JQWIXIFHSA-N
Compound name
ethyl (4aS,9bR)-6-bromo-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

144
Patents

324.04733 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05461 170.8
[M+Na]+ 347.03655 172.2
[M+NH4]+ 342.08115 174.9
[M+K]+ 363.01049 173.4
[M-H]- 323.04005 169.8
[M+Na-2H]- 345.02200 169.6
[M]+ 324.04678 169.3
[M]- 324.04788 169.3
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

patents stripe