CID 145913827

N-fmoc-n-benzyl-d-alanine

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 196.0
[M+Na]+ 424.15194 207.6
[M+NH4]+ 419.19654 203.2
[M+K]+ 440.12588 202.7
[M-H]- 400.15544 200.3
[M+Na-2H]- 422.13739 201.7
[M]+ 401.16217 198.7
[M]- 401.16327 198.7
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.