CID 132344120

2137700-89-9

Structural Information

Molecular Formula
C23H25NO5
SMILES
CC(C1(CCOCC1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO5/c1-15(23(21(25)26)10-12-28-13-11-23)24-22(27)29-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20H,10-14H2,1H3,(H,24,27)(H,25,26)
InChIKey
VQYOJEXPQLQPOI-UHFFFAOYSA-N
Compound name
4-[1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 193.6
[M+Na]+ 418.16250 196.5
[M-H]- 394.16600 200.0
[M+NH4]+ 413.20710 207.1
[M+K]+ 434.13644 194.2
[M+H-H2O]+ 378.17054 185.9
[M+HCOO]- 440.17148 207.5
[M+CH3COO]- 454.18713 220.4
[M+Na-2H]- 416.14795 194.8
[M]+ 395.17273 192.7
[M]- 395.17383 192.7
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.