CID 65814710

2-(4-(((9h-fluoren-9-yl)methoxy)carbonyl)morpholin-2-yl)acetic acid

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1COC(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C21H21NO5/c23-20(24)11-14-12-22(9-10-26-14)21(25)27-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)
InChIKey
MWVJXGOSMIXASR-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)morpholin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

367.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 185.1
[M+Na]+ 390.13119 189.8
[M-H]- 366.13469 190.7
[M+NH4]+ 385.17579 197.1
[M+K]+ 406.10513 186.9
[M+H-H2O]+ 350.13923 176.7
[M+HCOO]- 412.14017 198.4
[M+CH3COO]- 426.15582 212.8
[M+Na-2H]- 388.11664 185.8
[M]+ 367.14142 185.2
[M]- 367.14252 185.2
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

patents stripe