CID 154578375

2418595-94-3

Structural Information

Molecular Formula
C28H26N2O6
SMILES
C=CCOC(=O)NC1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H26N2O6/c1-2-14-35-27(33)29-19-9-7-8-18(15-19)16-25(26(31)32)30-28(34)36-17-24-22-12-5-3-10-20(22)21-11-4-6-13-23(21)24/h2-13,15,24-25H,1,14,16-17H2,(H,29,33)(H,30,34)(H,31,32)/t25-/m0/s1
InChIKey
OQSXGCWLSSBVOG-VWLOTQADSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(prop-2-enoxycarbonylamino)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.17908 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.18636 215.1
[M+Na]+ 509.16830 216.8
[M-H]- 485.17180 221.1
[M+NH4]+ 504.21290 223.6
[M+K]+ 525.14224 213.2
[M+H-H2O]+ 469.17634 205.9
[M+HCOO]- 531.17728 232.8
[M+CH3COO]- 545.19293 241.2
[M+Na-2H]- 507.15375 214.2
[M]+ 486.17853 217.8
[M]- 486.17963 217.8
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.