CID 165892509

2580226-93-1

Structural Information

Molecular Formula
C23H25NO5
SMILES
C1COC(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CCCC(=O)O
InChI
InChI=1S/C23H25NO5/c25-22(26)11-5-6-16-14-24(12-13-28-16)23(27)29-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21H,5-6,11-15H2,(H,25,26)
InChIKey
WAFYPIFIVWLYHZ-UHFFFAOYSA-N
Compound name
4-[4-(9H-fluoren-9-ylmethoxycarbonyl)morpholin-2-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 194.3
[M+Na]+ 418.16250 198.0
[M-H]- 394.16600 199.4
[M+NH4]+ 413.20710 205.1
[M+K]+ 434.13644 194.7
[M+H-H2O]+ 378.17054 185.5
[M+HCOO]- 440.17148 206.8
[M+CH3COO]- 454.18713 218.6
[M+Na-2H]- 416.14795 193.8
[M]+ 395.17273 195.0
[M]- 395.17383 195.0
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.