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]+ 380.196876 190.4
[M+Na]+ 402.178818 190.4
[M-H]- 378.182324 196.6
[M+NH4]+ 397.223423 198.4
[M+K]+ 418.152758 186.3
[M+H-H2O]+ 362.186860 179.2
[M+HCOO]- 424.187801 207.9
[M+CH3COO]- 438.203451 222.0
[M+Na-2H]- 400.164266 190.9
[M]+ 379.18905142 184.8
[M]- 379.19014858 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.