CID 9555851

Nsc642070

Structural Information

Molecular Formula
C16H24N4O2
SMILES
CC(C)N(C(C)C)C(=O)C/C(=N/NC(=O)C1=CC=NC=C1)/C
InChI
InChI=1S/C16H24N4O2/c1-11(2)20(12(3)4)15(21)10-13(5)18-19-16(22)14-6-8-17-9-7-14/h6-9,11-12H,10H2,1-5H3,(H,19,22)/b18-13+
InChIKey
QAQVAYQXTAWVGT-QGOAFFKASA-N
Compound name
N-[(E)-[4-[di(propan-2-yl)amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

304.1899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19718 176.4
[M+Na]+ 327.17912 178.6
[M-H]- 303.18262 180.6
[M+NH4]+ 322.22372 189.9
[M+K]+ 343.15306 179.1
[M+H-H2O]+ 287.18716 167.3
[M+HCOO]- 349.18810 198.6
[M+CH3COO]- 363.20375 219.8
[M+Na-2H]- 325.16457 175.9
[M]+ 304.18935 177.7
[M]- 304.19045 177.7
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

No patent data available for this compound.