CID 17039471

Cis-1-(9-h-fluoren-9-ylmethoxycarbonylamino)-indan-2-carboxylic acid

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]+ 400.15434 195.1
[M+Na]+ 422.13628 206.6
[M+NH4]+ 417.18088 203.1
[M+K]+ 438.11022 202.9
[M-H]- 398.13978 199.5
[M+Na-2H]- 420.12173 199.0
[M]+ 399.14651 197.8
[M]- 399.14761 197.8
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.