CID 3047616

Brn 0442461

Structural Information

Molecular Formula
C22H20N2O3
SMILES
C1=CC=C(C=C1)C(=O)C(CCC(=O)O)(C2=CC=CC=C2)NC3=CC=CC=N3
InChI
InChI=1S/C22H20N2O3/c25-20(26)14-15-22(18-11-5-2-6-12-18,24-19-13-7-8-16-23-19)21(27)17-9-3-1-4-10-17/h1-13,16H,14-15H2,(H,23,24)(H,25,26)
InChIKey
XMDYVICDFPVNLS-UHFFFAOYSA-N
Compound name
5-oxo-4,5-diphenyl-4-(pyridin-2-ylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1474 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15468 186.7
[M+Na]+ 383.13662 199.4
[M+NH4]+ 378.18122 192.7
[M+K]+ 399.11056 192.7
[M-H]- 359.14012 191.3
[M+Na-2H]- 381.12207 196.9
[M]+ 360.14685 189.8
[M]- 360.14795 189.8
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.