CID 145915561

2384608-41-5

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1CC1(CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C26H23NO4/c28-24(29)17-9-11-18(12-10-17)26(13-14-26)16-27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2,(H,27,30)(H,28,29)
InChIKey
VSABLQQOWRLOOF-UHFFFAOYSA-N
Compound name
4-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16272 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 192.9
[M+Na]+ 436.15194 200.3
[M-H]- 412.15544 203.0
[M+NH4]+ 431.19654 202.7
[M+K]+ 452.12588 194.6
[M+H-H2O]+ 396.15998 185.7
[M+HCOO]- 458.16092 211.8
[M+CH3COO]- 472.17657 202.1
[M+Na-2H]- 434.13739 195.6
[M]+ 413.16217 197.3
[M]- 413.16327 197.3
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

No patent data available for this compound.