CID 132349258

2137786-49-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14706 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15434 193.3
[M+Na]+ 422.13628 199.0
[M-H]- 398.13978 201.6
[M+NH4]+ 417.18088 209.3
[M+K]+ 438.11022 193.5
[M+H-H2O]+ 382.14432 186.3
[M+HCOO]- 444.14526 211.5
[M+CH3COO]- 458.16091 202.7
[M+Na-2H]- 420.12173 193.3
[M]+ 399.14651 194.5
[M]- 399.14761 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.