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

86
Patents

369.12125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.128526 184.1
[M+Na]+ 392.110468 187.9
[M-H]- 368.113974 186.2
[M+NH4]+ 387.155073 197.6
[M+K]+ 408.084408 185.1
[M+H-H2O]+ 352.118510 177.4
[M+HCOO]- 414.119451 200.8
[M+CH3COO]- 428.135101 214.6
[M+Na-2H]- 390.095916 184.4
[M]+ 369.12070142 186.3
[M]- 369.12179858 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