CID 1268238

285996-74-9

Structural Information

Molecular Formula
C22H21NO5
SMILES
C1CC(CCC1=O)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H21NO5/c24-14-9-11-22(12-10-14,20(25)26)23-21(27)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-13H2,(H,23,27)(H,25,26)
InChIKey
SHBYYFRMCILKOK-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

379.14197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14925 188.8
[M+Na]+ 402.13119 198.5
[M+NH4]+ 397.17579 196.8
[M+K]+ 418.10513 192.4
[M-H]- 378.13469 191.6
[M+Na-2H]- 400.11664 193.5
[M]+ 379.14142 190.7
[M]- 379.14252 190.7
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