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 176.5
[M+Na]+ 374.13628 182.9
[M-H]- 350.13978 183.5
[M+NH4]+ 369.18088 187.1
[M+K]+ 390.11022 177.6
[M+H-H2O]+ 334.14432 170.1
[M+HCOO]- 396.14526 195.2
[M+CH3COO]- 410.16091 215.6
[M+Na-2H]- 372.12173 178.3
[M]+ 351.14651 180.6
[M]- 351.14761 180.6
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.