CID 59317960

Ethyl (4as,9br)-6-bromo-1h,2h,3h,4h,4ah,5h,9bh-pyrido[4,3-b]indole-2-carboxylate

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

145
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 170.6
[M+Na]+ 347.03655 180.6
[M-H]- 323.04005 174.2
[M+NH4]+ 342.08115 189.3
[M+K]+ 363.01049 168.7
[M+H-H2O]+ 307.04459 169.9
[M+HCOO]- 369.04553 183.1
[M+CH3COO]- 383.06118 182.3
[M+Na-2H]- 345.02200 173.6
[M]+ 324.04678 186.7
[M]- 324.04788 186.7
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