CID 121604505

1936476-88-8

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1CC(CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO4/c24-21(25)15-6-5-12-23(13-11-15)22(26)27-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20H,5-6,11-14H2,(H,24,25)
InChIKey
ZPCYCNPEYROKHK-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 186.3
[M+Na]+ 388.15194 195.3
[M+NH4]+ 383.19654 192.5
[M+K]+ 404.12588 192.1
[M-H]- 364.15544 188.4
[M+Na-2H]- 386.13739 189.4
[M]+ 365.16217 188.0
[M]- 365.16327 188.0
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.