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]+ 370.128526 184.5
[M+Na]+ 392.110468 188.9
[M-H]- 368.113974 188.1
[M+NH4]+ 387.155073 198.9
[M+K]+ 408.084408 186.9
[M+H-H2O]+ 352.118510 177.6
[M+HCOO]- 414.119451 202.8
[M+CH3COO]- 428.135101 216.2
[M+Na-2H]- 390.095916 185.2
[M]+ 369.12070142 188.5
[M]- 369.12179858 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