CID 7009907

(3s)-2-{[(9h-fluoren-9-yl)methoxy]carbonyl}-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

Structural Information

Molecular Formula
C27H22N2O4
SMILES
C1[C@H](N(CC2=C1C3=CC=CC=C3N2)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O
InChI
InChI=1S/C27H22N2O4/c30-26(31)25-13-21-20-11-5-6-12-23(20)28-24(21)14-29(25)27(32)33-15-22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1-12,22,25,28H,13-15H2,(H,30,31)/t25-/m0/s1
InChIKey
IHHULIKSMJSELI-VWLOTQADSA-N
Compound name
(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

438.15796 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.16524 202.6
[M+Na]+ 461.14718 209.4
[M-H]- 437.15068 208.3
[M+NH4]+ 456.19178 214.7
[M+K]+ 477.12112 202.2
[M+H-H2O]+ 421.15522 193.8
[M+HCOO]- 483.15616 214.4
[M+CH3COO]- 497.17181 210.2
[M+Na-2H]- 459.13263 201.8
[M]+ 438.15741 203.3
[M]- 438.15851 203.3
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.