CID 66615360

1695699-56-9

Structural Information

Molecular Formula
C24H27NO4
SMILES
C1CCCC(CC1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO4/c26-23(27)22(16-9-3-1-2-4-10-16)25-24(28)29-15-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21/h5-8,11-14,16,21-22H,1-4,9-10,15H2,(H,25,28)(H,26,27)
InChIKey
UGMXHKLJUFZORO-UHFFFAOYSA-N
Compound name
2-cycloheptyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

393.194 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 194.0
[M+Na]+ 416.18322 200.9
[M+NH4]+ 411.22782 200.1
[M+K]+ 432.15716 197.9
[M-H]- 392.18672 196.7
[M+Na-2H]- 414.16867 196.7
[M]+ 393.19345 195.4
[M]- 393.19455 195.4
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