CID 131250621

861719-77-9

Structural Information

Molecular Formula
C26H26N2O4
SMILES
CN(C)C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H26N2O4/c1-28(2)18-13-11-17(12-14-18)15-24(25(29)30)27-26(31)32-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,23-24H,15-16H2,1-2H3,(H,27,31)(H,29,30)/t24-/m0/s1
InChIKey
TWNGBHYOIMBXEN-DEOSSOPVSA-N
Compound name
(2S)-3-[4-(dimethylamino)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.18927 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19655 203.9
[M+Na]+ 453.17849 207.0
[M-H]- 429.18199 211.7
[M+NH4]+ 448.22309 215.8
[M+K]+ 469.15243 203.7
[M+H-H2O]+ 413.18653 195.0
[M+HCOO]- 475.18747 223.2
[M+CH3COO]- 489.20312 235.6
[M+Na-2H]- 451.16394 203.8
[M]+ 430.18872 206.7
[M]- 430.18982 206.7
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.