CID 2759196

728919-92-4

Structural Information

Molecular Formula
C27H27NO4
SMILES
CC(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H27NO4/c1-17(2)18-11-13-19(14-12-18)25(15-26(29)30)28-27(31)32-16-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,17,24-25H,15-16H2,1-2H3,(H,28,31)(H,29,30)
InChIKey
DMJJRJTVYCLVAS-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-propan-2-ylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

429.194 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.20128 206.0
[M+Na]+ 452.18322 209.2
[M-H]- 428.18672 212.3
[M+NH4]+ 447.22782 217.6
[M+K]+ 468.15716 204.6
[M+H-H2O]+ 412.19126 197.5
[M+HCOO]- 474.19220 222.4
[M+CH3COO]- 488.20785 231.0
[M+Na-2H]- 450.16867 204.1
[M]+ 429.19345 207.8
[M]- 429.19455 207.8
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