CID 145913827

2137135-65-8

Structural Information

Molecular Formula
C25H23NO4
SMILES
C[C@H](C(=O)O)N(CC1=CC=CC=C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO4/c1-17(24(27)28)26(15-18-9-3-2-4-10-18)25(29)30-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23H,15-16H2,1H3,(H,27,28)/t17-/m1/s1
InChIKey
QFVKHZGPQOFFBR-QGZVFWFLSA-N
Compound name
(2R)-2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 197.2
[M+Na]+ 424.15194 200.8
[M-H]- 400.15544 204.9
[M+NH4]+ 419.19654 210.4
[M+K]+ 440.12588 197.3
[M+H-H2O]+ 384.15998 188.4
[M+HCOO]- 446.16092 215.8
[M+CH3COO]- 460.17657 226.2
[M+Na-2H]- 422.13739 197.3
[M]+ 401.16217 199.7
[M]- 401.16327 199.7
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.