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]+ 366.169996 186.3
[M+Na]+ 388.151938 190.0
[M-H]- 364.155444 192.6
[M+NH4]+ 383.196543 199.2
[M+K]+ 404.125878 189.2
[M+H-H2O]+ 348.159980 179.5
[M+HCOO]- 410.160921 200.0
[M+CH3COO]- 424.176571 194.6
[M+Na-2H]- 386.137386 185.6
[M]+ 365.16217142 182.0
[M]- 365.16326858 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.