CID 3074795

3,5-pyridinedicarboxamide, 1,4-dihydro-4-(2-nitrophenyl)-n,n',2,6-tetramethyl-

Structural Information

Molecular Formula
C17H20N4O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC)C2=CC=CC=C2[N+](=O)[O-])C(=O)NC
InChI
InChI=1S/C17H20N4O4/c1-9-13(16(22)18-3)15(14(10(2)20-9)17(23)19-4)11-7-5-6-8-12(11)21(24)25/h5-8,15,20H,1-4H3,(H,18,22)(H,19,23)
InChIKey
HYCBZTLYVMQOJR-UHFFFAOYSA-N
Compound name
3-N,5-N,2,6-tetramethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14847 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15575 179.5
[M+Na]+ 367.13769 190.2
[M+NH4]+ 362.18229 184.0
[M+K]+ 383.11163 188.5
[M-H]- 343.14119 183.1
[M+Na-2H]- 365.12314 183.6
[M]+ 344.14792 181.5
[M]- 344.14902 181.5
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.