CID 40423784

(s)-3-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid

Structural Information

Molecular Formula
C20H19NO6
SMILES
COC(=O)[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H19NO6/c1-26-19(24)17(10-18(22)23)21-20(25)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,25)(H,22,23)/t17-/m0/s1
InChIKey
UEUZUMRMWJUEMK-KRWDZBQOSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

369.12125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 184.5
[M+Na]+ 392.11047 188.9
[M-H]- 368.11397 188.1
[M+NH4]+ 387.15507 198.9
[M+K]+ 408.08441 186.9
[M+H-H2O]+ 352.11851 177.6
[M+HCOO]- 414.11945 202.8
[M+CH3COO]- 428.13510 216.2
[M+Na-2H]- 390.09592 185.2
[M]+ 369.12070 188.5
[M]- 369.12180 188.5
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

patents stripe