CID 3085671

Einecs 276-260-6

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC(C)(C)OCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
REITVGIIZHFVGU-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7345
Patents

383.17328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.180556 192.7
[M+Na]+ 406.162498 196.8
[M-H]- 382.166004 196.0
[M+NH4]+ 401.207103 206.9
[M+K]+ 422.136438 194.2
[M+H-H2O]+ 366.170540 186.1
[M+HCOO]- 428.171481 209.2
[M+CH3COO]- 442.187131 220.0
[M+Na-2H]- 404.147946 194.4
[M]+ 383.17273142 196.7
[M]- 383.17382858 196.7
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