CID 11212735

847654-17-5

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 192.2
[M+Na]+ 402.17882 201.8
[M+NH4]+ 397.22342 197.6
[M+K]+ 418.15276 195.5
[M-H]- 378.18232 197.1
[M+Na-2H]- 400.16427 199.4
[M]+ 379.18905 194.5
[M]- 379.19015 194.5
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.