CID 45113855

1219603-31-2

Structural Information

Molecular Formula
C21H21NO5
SMILES
C[C@@H]1[C@H](N(CCO1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO5/c1-13-19(20(23)24)22(10-11-26-13)21(25)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-19H,10-12H2,1H3,(H,23,24)/t13-,19+/m1/s1
InChIKey
FARPCFHIMBUWFB-YJYMSZOUSA-N
Compound name
(2R,3S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylmorpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 185.6
[M+Na]+ 390.13119 191.2
[M-H]- 366.13469 191.5
[M+NH4]+ 385.17579 197.9
[M+K]+ 406.10513 188.3
[M+H-H2O]+ 350.13923 177.4
[M+HCOO]- 412.14017 198.8
[M+CH3COO]- 426.15582 214.1
[M+Na-2H]- 388.11664 185.5
[M]+ 367.14142 186.2
[M]- 367.14252 186.2
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.