CID 139026847

2361634-15-1

Structural Information

Molecular Formula
C25H21NO5
SMILES
C1C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C25H21NO5/c27-24(28)16-9-11-17(12-10-16)31-18-13-26(14-18)25(29)30-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,28)
InChIKey
YCMNBAWPOFTVNU-UHFFFAOYSA-N
Compound name
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.14197 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14925 195.2
[M+Na]+ 438.13119 199.4
[M-H]- 414.13469 203.3
[M+NH4]+ 433.17579 199.9
[M+K]+ 454.10513 198.2
[M+H-H2O]+ 398.13923 180.3
[M+HCOO]- 460.14017 210.2
[M+CH3COO]- 474.15582 224.9
[M+Na-2H]- 436.11664 194.7
[M]+ 415.14142 205.8
[M]- 415.14252 205.8
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

No patent data available for this compound.