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]+ 325.165906 178.4
[M+Na]+ 347.147848 183.0
[M-H]- 323.151354 184.9
[M+NH4]+ 342.192453 190.6
[M+K]+ 363.121788 179.9
[M+H-H2O]+ 307.155890 168.5
[M+HCOO]- 369.156831 202.7
[M+CH3COO]- 383.172481 218.9
[M+Na-2H]- 345.133296 181.2
[M]+ 324.15808142 178.6
[M]- 324.15917858 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