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]+ 352.154336 176.5
[M+Na]+ 374.136278 182.9
[M-H]- 350.139784 183.5
[M+NH4]+ 369.180883 187.1
[M+K]+ 390.110218 177.6
[M+H-H2O]+ 334.144320 170.1
[M+HCOO]- 396.145261 195.2
[M+CH3COO]- 410.160911 215.6
[M+Na-2H]- 372.121726 178.3
[M]+ 351.14651142 180.6
[M]- 351.14760858 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.