CID 77456481

1695292-51-3

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CC(C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)19(13-6-5-7-13)22-21(25)26-12-18-16-10-3-1-8-14(16)15-9-2-4-11-17(15)18/h1-4,8-11,13,18-19H,5-7,12H2,(H,22,25)(H,23,24)
InChIKey
TXLUWFPQLXODBP-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.14706 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 184.4
[M+Na]+ 374.13628 189.3
[M+NH4]+ 369.18088 187.3
[M+K]+ 390.11022 187.3
[M-H]- 350.13978 184.1
[M+Na-2H]- 372.12173 185.0
[M]+ 351.14651 183.5
[M]- 351.14761 183.5
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