CID 129322872

2127012-69-3

Structural Information

Molecular Formula
C27H22N2O4
SMILES
C1CN(CC2=C1NC3=C2C=CC=C3C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C27H22N2O4/c30-26(31)21-11-5-10-20-22-14-29(13-12-24(22)28-25(20)21)27(32)33-15-23-18-8-3-1-6-16(18)17-7-2-4-9-19(17)23/h1-11,23,28H,12-15H2,(H,30,31)
InChIKey
DUABXJIUCGJNCC-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.15796 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.16524 205.4
[M+Na]+ 461.14718 219.1
[M+NH4]+ 456.19178 212.9
[M+K]+ 477.12112 215.1
[M-H]- 437.15068 208.9
[M+Na-2H]- 459.13263 208.5
[M]+ 438.15741 208.3
[M]- 438.15851 208.3
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.