CID 2733197

135944-08-0

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1CC(CC2=CC=CC=C21)(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H23NO4/c28-24(29)26(14-13-17-7-1-2-8-18(17)15-26)27-25(30)31-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23H,13-16H2,(H,27,30)(H,28,29)
InChIKey
PRKGWEACQDXDDT-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

413.16272 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 197.7
[M+Na]+ 436.15194 202.5
[M-H]- 412.15544 204.7
[M+NH4]+ 431.19654 212.8
[M+K]+ 452.12588 196.7
[M+H-H2O]+ 396.15998 188.7
[M+HCOO]- 458.16092 213.2
[M+CH3COO]- 472.17657 205.9
[M+Na-2H]- 434.13739 200.5
[M]+ 413.16217 196.6
[M]- 413.16327 196.6
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