CID 9571668

Nsc641861

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CC1=CC(=C(C=C1)C)NC(=O)C/C(=N/NC(=O)C2=CC=NC=C2)/C
InChI
InChI=1S/C18H20N4O2/c1-12-4-5-13(2)16(10-12)20-17(23)11-14(3)21-22-18(24)15-6-8-19-9-7-15/h4-10H,11H2,1-3H3,(H,20,23)(H,22,24)/b21-14+
InChIKey
SICJKIQCDFCVSD-KGENOOAVSA-N
Compound name
N-[(E)-[4-(2,5-dimethylanilino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

324.15863 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 178.4
[M+Na]+ 347.14785 183.0
[M-H]- 323.15135 184.9
[M+NH4]+ 342.19245 190.6
[M+K]+ 363.12179 179.9
[M+H-H2O]+ 307.15589 168.5
[M+HCOO]- 369.15683 202.7
[M+CH3COO]- 383.17248 218.9
[M+Na-2H]- 345.13330 181.2
[M]+ 324.15808 178.6
[M]- 324.15918 178.6
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