CID 137943807

1334671-09-8

Structural Information

Molecular Formula
C26H23NO6
SMILES
COC(=O)C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H23NO6/c1-32-25(30)17-12-10-16(11-13-17)14-23(24(28)29)27-26(31)33-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,27,31)(H,28,29)/t23-/m0/s1
InChIKey
NIAZASDDFQBJKX-QHCPKHFHSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxycarbonylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.15253 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.159806 205.3
[M+Na]+ 468.141748 208.7
[M-H]- 444.145254 211.8
[M+NH4]+ 463.186353 216.0
[M+K]+ 484.115688 205.5
[M+H-H2O]+ 428.149790 196.7
[M+HCOO]- 490.150731 222.5
[M+CH3COO]- 504.166381 231.3
[M+Na-2H]- 466.127196 204.5
[M]+ 445.15198142 208.9
[M]- 445.15307858 208.9
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.