CID 135400298

Rsva405

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CCN(CC)C1=CC(=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2)O
InChI
InChI=1S/C17H20N4O2/c1-3-21(4-2)15-6-5-14(16(22)11-15)12-19-20-17(23)13-7-9-18-10-8-13/h5-12,22H,3-4H2,1-2H3,(H,20,23)/b19-12+
InChIKey
GWQPCBPAOAFXSJ-XDHOZWIPSA-N
Compound name
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

3
Patents

312.15863 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 174.3
[M+Na]+ 335.14785 179.1
[M-H]- 311.15135 180.8
[M+NH4]+ 330.19245 187.0
[M+K]+ 351.12179 176.3
[M+H-H2O]+ 295.15589 164.2
[M+HCOO]- 357.15683 199.7
[M+CH3COO]- 371.17248 216.4
[M+Na-2H]- 333.13330 178.8
[M]+ 312.15808 175.4
[M]- 312.15918 175.4
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

patents stripe