CID 58382118

1310680-22-8

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)(CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-21(2,12-11-19(23)24)22-20(25)26-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18H,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKey
RDLJKFZZRXLVOY-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

353.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 185.4
[M+Na]+ 376.15194 190.5
[M-H]- 352.15544 188.9
[M+NH4]+ 371.19654 201.0
[M+K]+ 392.12588 186.7
[M+H-H2O]+ 336.15998 178.9
[M+HCOO]- 398.16092 203.2
[M+CH3COO]- 412.17657 214.6
[M+Na-2H]- 374.13739 188.5
[M]+ 353.16217 188.4
[M]- 353.16327 188.4
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