CID 165500787

En300-1162905

Structural Information

Molecular Formula
C26H25NO5
SMILES
CC1=C(C=CC(=C1)OC)[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO5/c1-16-13-17(31-2)11-12-18(16)24(14-25(28)29)27-26(30)32-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-13,23-24H,14-15H2,1-2H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKey
LGWJOQBYZIDCEL-DEOSSOPVSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxy-2-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.17328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18056 204.1
[M+Na]+ 454.16250 208.7
[M-H]- 430.16600 211.0
[M+NH4]+ 449.20710 216.0
[M+K]+ 470.13644 204.7
[M+H-H2O]+ 414.17054 195.6
[M+HCOO]- 476.17148 222.0
[M+CH3COO]- 490.18713 230.7
[M+Na-2H]- 452.14795 203.4
[M]+ 431.17273 208.1
[M]- 431.17383 208.1
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.