CID 17039471

2307772-75-2

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H21NO4/c27-24(28)21-13-15-7-1-2-8-16(15)23(21)26-25(29)30-14-22-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h1-12,21-23H,13-14H2,(H,26,29)(H,27,28)/t21-,23+/m1/s1
InChIKey
SNHQBYUMRKLGIF-GGAORHGYSA-N
Compound name
(1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydro-1H-indene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.154336 193.3
[M+Na]+ 422.136278 199.0
[M-H]- 398.139784 201.6
[M+NH4]+ 417.180883 209.3
[M+K]+ 438.110218 193.5
[M+H-H2O]+ 382.144320 186.3
[M+HCOO]- 444.145261 211.5
[M+CH3COO]- 458.160911 202.7
[M+Na-2H]- 420.121726 193.3
[M]+ 399.14651142 194.5
[M]- 399.14760858 194.5
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.