CID 2733196

214139-28-3

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1CC(C2=CC=CC=C21)(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H21NO4/c27-23(28)25(14-13-16-7-1-6-12-22(16)25)26-24(29)30-15-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h1-12,21H,13-15H2,(H,26,29)(H,27,28)
InChIKey
JKVSMORCWJVCAE-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydroindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

399.14706 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.154336 194.7
[M+Na]+ 422.136278 200.9
[M-H]- 398.139784 202.9
[M+NH4]+ 417.180883 212.5
[M+K]+ 438.110218 195.2
[M+H-H2O]+ 382.144320 187.5
[M+HCOO]- 444.145261 213.0
[M+CH3COO]- 458.160911 204.2
[M+Na-2H]- 420.121726 196.3
[M]+ 399.14651142 195.9
[M]- 399.14760858 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

patents stripe