CID 4271900

124302-98-3

Structural Information

Molecular Formula
C21H17N3O3
SMILES
C1=CC=C(C=C1)C(=NCC(=O)O)C2=CC=CC=C2NC(=O)C3=CC=CC=N3
InChI
InChI=1S/C21H17N3O3/c25-19(26)14-23-20(15-8-2-1-3-9-15)16-10-4-5-11-17(16)24-21(27)18-12-6-7-13-22-18/h1-13H,14H2,(H,24,27)(H,25,26)
InChIKey
NVEUHCNIVCHZRZ-UHFFFAOYSA-N
Compound name
2-[[phenyl-[2-(pyridine-2-carbonylamino)phenyl]methylidene]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.12698 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13426 184.0
[M+Na]+ 382.11620 187.5
[M-H]- 358.11970 191.7
[M+NH4]+ 377.16080 193.1
[M+K]+ 398.09014 183.0
[M+H-H2O]+ 342.12424 173.0
[M+HCOO]- 404.12518 206.1
[M+CH3COO]- 418.14083 218.0
[M+Na-2H]- 380.10165 187.9
[M]+ 359.12643 182.3
[M]- 359.12753 182.3
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.