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 184.4
[M+Na]+ 374.13628 189.6
[M-H]- 350.13978 189.1
[M+NH4]+ 369.18088 200.5
[M+K]+ 390.11022 185.8
[M+H-H2O]+ 334.14432 177.1
[M+HCOO]- 396.14526 204.5
[M+CH3COO]- 410.16091 216.6
[M+Na-2H]- 372.12173 185.5
[M]+ 351.14651 188.3
[M]- 351.14761 188.3
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.