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]+ 369.14448 184.5
[M+Na]+ 391.12642 188.8
[M-H]- 367.12992 187.7
[M+NH4]+ 386.17102 198.5
[M+K]+ 407.10036 186.0
[M+H-H2O]+ 351.13446 178.1
[M+HCOO]- 413.13540 202.4
[M+CH3COO]- 427.15105 218.9
[M+Na-2H]- 389.11187 187.2
[M]+ 368.13665 185.7
[M]- 368.13775 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.