CID 1268155

66863-43-2

Structural Information

Molecular Formula
C17H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)O)C3=CC=CC=C3N2
InChI
InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13-11(8-14(19)15(20)21)10-6-4-5-7-12(10)18-13/h4-7,14,18H,8-9H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKey
FHEPEWKHTOVVAT-AWEZNQCLSA-N
Compound name
(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

316.1423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14958 172.6
[M+Na]+ 339.13152 182.5
[M+NH4]+ 334.17612 178.1
[M+K]+ 355.10546 180.8
[M-H]- 315.13502 170.9
[M+Na-2H]- 337.11697 174.0
[M]+ 316.14175 173.2
[M]- 316.14285 173.2
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

patents stripe