CID 154832481

227006-55-5

Structural Information

Molecular Formula
C21H21NO4
SMILES
C=CCCN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H21NO4/c1-2-3-12-22(13-20(23)24)21(25)26-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h2,4-11,19H,1,3,12-14H2,(H,23,24)
InChIKey
IJBPAHPUQGXDLW-UHFFFAOYSA-N
Compound name
2-[but-3-enyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 183.5
[M+Na]+ 374.13628 193.4
[M+NH4]+ 369.18088 189.9
[M+K]+ 390.11022 188.9
[M-H]- 350.13978 184.8
[M+Na-2H]- 372.12173 186.2
[M]+ 351.14651 184.9
[M]- 351.14761 184.9
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.