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 193.7
[M+Na]+ 418.16250 199.1
[M-H]- 394.16600 200.7
[M+NH4]+ 413.20710 209.7
[M+K]+ 434.13644 196.3
[M+H-H2O]+ 378.17054 186.4
[M+HCOO]- 440.17148 208.5
[M+CH3COO]- 454.18713 220.3
[M+Na-2H]- 416.14795 196.5
[M]+ 395.17273 194.3
[M]- 395.17383 194.3
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.