CID 64558786

632350-45-9

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1CCC(N(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO4/c24-21(25)20-12-2-1-7-13-23(20)22(26)27-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20H,1-2,7,12-14H2,(H,24,25)
InChIKey
WVJOHQNQAXAVJQ-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 186.3
[M+Na]+ 388.15194 190.0
[M-H]- 364.15544 192.6
[M+NH4]+ 383.19654 199.2
[M+K]+ 404.12588 189.2
[M+H-H2O]+ 348.15998 179.5
[M+HCOO]- 410.16092 200.0
[M+CH3COO]- 424.17657 194.6
[M+Na-2H]- 386.13739 185.6
[M]+ 365.16217 182.0
[M]- 365.16327 182.0
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.