CID 11212735

[n-[alpha-[2-(piperidinoacetamido)phenyl]benzylidene]glycinato]nickel

Structural Information

Molecular Formula
C22H25N3O3
SMILES
C1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=NCC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C22H25N3O3/c26-20(16-25-13-7-2-8-14-25)24-19-12-6-5-11-18(19)22(23-15-21(27)28)17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H,24,26)(H,27,28)
InChIKey
OXOKVSMPIFRVBA-UHFFFAOYSA-N
Compound name
2-[[phenyl-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]methylidene]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 190.4
[M+Na]+ 402.17882 190.4
[M-H]- 378.18232 196.6
[M+NH4]+ 397.22342 198.4
[M+K]+ 418.15276 186.3
[M+H-H2O]+ 362.18686 179.2
[M+HCOO]- 424.18780 207.9
[M+CH3COO]- 438.20345 222.0
[M+Na-2H]- 400.16427 190.9
[M]+ 379.18905 184.8
[M]- 379.19015 184.8
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.