CID 6880459

Inh 4prophcho d

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C16H17N3O2/c1-2-11-21-15-5-3-13(4-6-15)12-18-19-16(20)14-7-9-17-10-8-14/h3-10,12H,2,11H2,1H3,(H,19,20)/b18-12+
InChIKey
MYMAJTPSLMFBOZ-LDADJPATSA-N
Compound name
N-[(E)-(4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.13208 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 165.5
[M+Na]+ 306.12130 171.1
[M-H]- 282.12480 171.8
[M+NH4]+ 301.16590 179.6
[M+K]+ 322.09524 167.7
[M+H-H2O]+ 266.12934 155.7
[M+HCOO]- 328.13028 191.3
[M+CH3COO]- 342.14593 206.2
[M+Na-2H]- 304.10675 172.0
[M]+ 283.13153 167.2
[M]- 283.13263 167.2
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

patents stripe