CID 91811020

1403590-49-7

Structural Information

Molecular Formula
C20H20N2O5
SMILES
C[C@](CC(=O)N)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H20N2O5/c1-20(18(24)25,10-17(21)23)22-19(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H2,21,23)(H,22,26)(H,24,25)/t20-/m0/s1
InChIKey
WDVALBSODAWGFX-FQEVSTJZSA-N
Compound name
(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.144476 184.5
[M+Na]+ 391.126418 188.8
[M-H]- 367.129924 187.7
[M+NH4]+ 386.171023 198.5
[M+K]+ 407.100358 186.0
[M+H-H2O]+ 351.134460 178.1
[M+HCOO]- 413.135401 202.4
[M+CH3COO]- 427.151051 218.9
[M+Na-2H]- 389.111866 187.2
[M]+ 368.13665142 185.7
[M]- 368.13774858 185.7
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.