CID 135491418

Chembl3091642

Structural Information

Molecular Formula
C17H20N4O2
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=CC(=C2O)CN(C)C
InChI
InChI=1S/C17H20N4O2/c1-12(19-20-17(23)13-7-9-18-10-8-13)15-6-4-5-14(16(15)22)11-21(2)3/h4-10,22H,11H2,1-3H3,(H,20,23)/b19-12+
InChIKey
OUEHAISTLUWCOF-XDHOZWIPSA-N
Compound name
N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

312.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 174.7
[M+Na]+ 335.14785 179.3
[M-H]- 311.15135 181.4
[M+NH4]+ 330.19245 187.3
[M+K]+ 351.12179 177.0
[M+H-H2O]+ 295.15589 164.9
[M+HCOO]- 357.15683 199.1
[M+CH3COO]- 371.17248 217.4
[M+Na-2H]- 333.13330 178.0
[M]+ 312.15808 175.3
[M]- 312.15918 175.3
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.