CID 208689

32828-80-1

Structural Information

Molecular Formula
C20H18N4O3
SMILES
C1=CC(=CN=C1)CNC(=O)C2=CC(=C(C=C2)O)C(=O)NCC3=CN=CC=C3
InChI
InChI=1S/C20H18N4O3/c25-18-6-5-16(19(26)23-12-14-3-1-7-21-10-14)9-17(18)20(27)24-13-15-4-2-8-22-11-15/h1-11,25H,12-13H2,(H,23,26)(H,24,27)
InChIKey
VZOHVOVQFKXKRI-UHFFFAOYSA-N
Compound name
4-hydroxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.13788 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14516 186.2
[M+Na]+ 385.12710 198.9
[M+NH4]+ 380.17170 191.4
[M+K]+ 401.10104 192.5
[M-H]- 361.13060 191.0
[M+Na-2H]- 383.11255 195.6
[M]+ 362.13733 189.1
[M]- 362.13843 189.1
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.