CID 103663912

1693603-05-2

Structural Information

Molecular Formula
C23H25NO5
SMILES
CC1(CC(CCO1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
InChI
InChI=1S/C23H25NO5/c1-22(2)14-23(20(25)26,11-12-29-22)24-21(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKey
UDECQJCABKIMEG-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethyloxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 193.2
[M+Na]+ 418.16250 203.1
[M+NH4]+ 413.20710 202.6
[M+K]+ 434.13644 195.5
[M-H]- 394.16600 197.5
[M+Na-2H]- 416.14795 198.7
[M]+ 395.17273 195.9
[M]- 395.17383 195.9
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.