CID 22309352

683217-51-8

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CC1C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)11-19(13-9-10-13)22-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24)
InChIKey
KQKYKWUUVQMRPX-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 182.8
[M+Na]+ 374.13628 194.3
[M+NH4]+ 369.18088 190.6
[M+K]+ 390.11022 191.3
[M-H]- 350.13978 192.5
[M+Na-2H]- 372.12173 189.0
[M]+ 351.14651 188.1
[M]- 351.14761 188.1
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.