CID 132308081

2003985-34-8

Structural Information

Molecular Formula
C24H27NO4
SMILES
CC1(CCCCC1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO4/c1-24(13-7-2-8-14-24)21(22(26)27)25-23(28)29-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20-21H,2,7-8,13-15H2,1H3,(H,25,28)(H,26,27)
InChIKey
IFIPWXDCTFSSKZ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

393.194 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 195.3
[M+Na]+ 416.18322 197.7
[M-H]- 392.18672 200.8
[M+NH4]+ 411.22782 210.2
[M+K]+ 432.15716 193.4
[M+H-H2O]+ 376.19126 187.4
[M+HCOO]- 438.19220 209.6
[M+CH3COO]- 452.20785 220.8
[M+Na-2H]- 414.16867 195.0
[M]+ 393.19345 192.6
[M]- 393.19455 192.6
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