CID 4389144

136083-74-4

Structural Information

Molecular Formula
C20H19NO6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H19NO6/c22-18(23)10-9-17(19(24)25)21-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,26)(H,22,23)(H,24,25)
InChIKey
QEPWHIXHJNNGLU-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

369.12125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 184.1
[M+Na]+ 392.11047 187.9
[M-H]- 368.11397 186.2
[M+NH4]+ 387.15507 197.6
[M+K]+ 408.08441 185.1
[M+H-H2O]+ 352.11851 177.4
[M+HCOO]- 414.11945 200.8
[M+CH3COO]- 428.13510 214.6
[M+Na-2H]- 390.09592 184.4
[M]+ 369.12070 186.3
[M]- 369.12180 186.3
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