CID 121604445

1935557-50-8

Structural Information

Molecular Formula
C20H19NO4
SMILES
C1C(CC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H19NO4/c22-19(23)12-9-13(10-12)21-20(24)25-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,12-13,18H,9-11H2,(H,21,24)(H,22,23)
InChIKey
LQVPKLDMKLANJH-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 179.6
[M+Na]+ 360.12062 185.5
[M+NH4]+ 355.16522 182.9
[M+K]+ 376.09456 183.1
[M-H]- 336.12412 179.7
[M+Na-2H]- 358.10607 180.7
[M]+ 337.13085 179.0
[M]- 337.13195 179.0
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.