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

6
Patents

351.14706 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 184.4
[M+Na]+ 374.136278 189.6
[M-H]- 350.139784 189.1
[M+NH4]+ 369.180883 200.5
[M+K]+ 390.110218 185.8
[M+H-H2O]+ 334.144320 177.1
[M+HCOO]- 396.145261 204.5
[M+CH3COO]- 410.160911 216.6
[M+Na-2H]- 372.121726 185.5
[M]+ 351.14651142 188.3
[M]- 351.14760858 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

patents stripe