CID 6035218

Chembl3091898

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CC(C)CCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C18H21N3O2/c1-14(2)9-12-23-17-5-3-15(4-6-17)13-20-21-18(22)16-7-10-19-11-8-16/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,21,22)/b20-13+
InChIKey
ZOKGGCVEGSOKCC-DEDYPNTBSA-N
Compound name
N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

311.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 175.1
[M+Na]+ 334.15262 179.5
[M-H]- 310.15612 181.1
[M+NH4]+ 329.19722 187.9
[M+K]+ 350.12656 176.2
[M+H-H2O]+ 294.16066 165.0
[M+HCOO]- 356.16160 199.2
[M+CH3COO]- 370.17725 213.0
[M+Na-2H]- 332.13807 179.3
[M]+ 311.16285 176.9
[M]- 311.16395 176.9
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.