CID 135491422

Chembl3091647

Structural Information

Molecular Formula
C19H22N4O3
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=CC(=C2O)CN3CCOCC3
InChI
InChI=1S/C19H22N4O3/c1-14(21-22-19(25)15-5-7-20-8-6-15)17-4-2-3-16(18(17)24)13-23-9-11-26-12-10-23/h2-8,24H,9-13H2,1H3,(H,22,25)/b21-14+
InChIKey
WYMVBFASZXSWKW-KGENOOAVSA-N
Compound name
N-[(E)-1-[2-hydroxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

354.1692 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 185.2
[M+Na]+ 377.15842 187.8
[M-H]- 353.16192 191.7
[M+NH4]+ 372.20302 192.1
[M+K]+ 393.13236 184.8
[M+H-H2O]+ 337.16646 173.5
[M+HCOO]- 399.16740 202.2
[M+CH3COO]- 413.18305 217.2
[M+Na-2H]- 375.14387 188.2
[M]+ 354.16865 181.5
[M]- 354.16975 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.