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

10
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 193.7
[M+Na]+ 416.18322 194.4
[M-H]- 392.18672 200.5
[M+NH4]+ 411.22782 206.0
[M+K]+ 432.15716 194.3
[M+H-H2O]+ 376.19126 187.7
[M+HCOO]- 438.19220 208.0
[M+CH3COO]- 452.20785 220.6
[M+Na-2H]- 414.16867 192.3
[M]+ 393.19345 188.0
[M]- 393.19455 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

patents stripe