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]+ 313.165906 174.7
[M+Na]+ 335.147848 179.3
[M-H]- 311.151354 181.4
[M+NH4]+ 330.192453 187.3
[M+K]+ 351.121788 177.0
[M+H-H2O]+ 295.155890 164.9
[M+HCOO]- 357.156831 199.1
[M+CH3COO]- 371.172481 217.4
[M+Na-2H]- 333.133296 178.0
[M]+ 312.15808142 175.3
[M]- 312.15917858 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.