CID 146081940

2354216-78-5

Structural Information

Molecular Formula
C27H25NO5
SMILES
C1COCCC1(C2=CC=C(C=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C27H25NO5/c29-25(30)27(13-15-32-16-14-27)18-9-11-19(12-10-18)28-26(31)33-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,24H,13-17H2,(H,28,31)(H,29,30)
InChIKey
SDTAURSDCFBQFT-UHFFFAOYSA-N
Compound name
4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.17328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.18056 204.9
[M+Na]+ 466.16250 208.3
[M-H]- 442.16600 214.5
[M+NH4]+ 461.20710 216.0
[M+K]+ 482.13644 204.6
[M+H-H2O]+ 426.17054 195.3
[M+HCOO]- 488.17148 219.5
[M+CH3COO]- 502.18713 212.5
[M+Na-2H]- 464.14795 206.3
[M]+ 443.17273 203.5
[M]- 443.17383 203.5
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.