CID 53397703

180181-98-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.16272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.169996 185.6
[M+Na]+ 376.151938 189.7
[M-H]- 352.155444 188.9
[M+NH4]+ 371.196543 200.9
[M+K]+ 392.125878 186.4
[M+H-H2O]+ 336.159980 178.8
[M+HCOO]- 398.160921 203.0
[M+CH3COO]- 412.176571 216.0
[M+Na-2H]- 374.137386 185.2
[M]+ 353.16217142 187.8
[M]- 353.16326858 187.8
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