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

6
Patents

367.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.149246 185.1
[M+Na]+ 390.131188 189.8
[M-H]- 366.134694 190.7
[M+NH4]+ 385.175793 197.1
[M+K]+ 406.105128 186.9
[M+H-H2O]+ 350.139230 176.7
[M+HCOO]- 412.140171 198.4
[M+CH3COO]- 426.155821 212.8
[M+Na-2H]- 388.116636 185.8
[M]+ 367.14142142 185.2
[M]- 367.14251858 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