CID 3849773

[n-[1-[2-(2-pyridylcarboxamido)phenyl]ethylidene]glycinato]nickel

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC(=NCC(=O)O)C1=CC=CC=C1NC(=O)C2=CC=CC=N2
InChI
InChI=1S/C16H15N3O3/c1-11(18-10-15(20)21)12-6-2-3-7-13(12)19-16(22)14-8-4-5-9-17-14/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKey
DMABXZXTDBCWBN-UHFFFAOYSA-N
Compound name
2-[1-[2-(pyridine-2-carbonylamino)phenyl]ethylideneamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11133 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.118606 168.1
[M+Na]+ 320.100548 172.8
[M-H]- 296.104054 173.2
[M+NH4]+ 315.145153 180.5
[M+K]+ 336.074488 169.8
[M+H-H2O]+ 280.108590 158.7
[M+HCOO]- 342.109531 190.7
[M+CH3COO]- 356.125181 206.9
[M+Na-2H]- 318.085996 171.8
[M]+ 297.11078142 167.4
[M]- 297.11187858 167.4
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.