CID 132350898

2138398-65-7

Structural Information

Molecular Formula
C27H25NO4
SMILES
C1CC(C2=C(C1)C=CC(=C2)C(=O)O)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H25NO4/c29-26(30)18-13-12-17-6-5-7-19(24(17)14-18)15-28-27(31)32-16-25-22-10-3-1-8-20(22)21-9-2-4-11-23(21)25/h1-4,8-14,19,25H,5-7,15-16H2,(H,28,31)(H,29,30)
InChIKey
OBDHLBINWJWYKK-UHFFFAOYSA-N
Compound name
8-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.17834 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18562 203.5
[M+Na]+ 450.16756 215.8
[M+NH4]+ 445.21216 211.4
[M+K]+ 466.14150 209.2
[M-H]- 426.17106 208.6
[M+Na-2H]- 448.15301 207.8
[M]+ 427.17779 206.6
[M]- 427.17889 206.6
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.