CID 115445171

1550436-68-4

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CC(C1)(CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO4/c23-19(24)21(10-5-11-21)13-22-20(25)26-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18H,5,10-13H2,(H,22,25)(H,23,24)
InChIKey
DTJVCCFTJXIJKJ-UHFFFAOYSA-N
Compound name
1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclobutane-1-carboxylic 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 183.7
[M+Na]+ 374.13628 187.3
[M-H]- 350.13978 190.0
[M+NH4]+ 369.18088 194.2
[M+K]+ 390.11022 186.3
[M+H-H2O]+ 334.14432 171.3
[M+HCOO]- 396.14526 201.0
[M+CH3COO]- 410.16091 214.6
[M+Na-2H]- 372.12173 185.7
[M]+ 351.14651 192.9
[M]- 351.14761 192.9
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.