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 178.7
[M+Na]+ 367.13769 183.4
[M-H]- 343.14119 183.2
[M+NH4]+ 362.18229 188.7
[M+K]+ 383.11163 175.7
[M+H-H2O]+ 327.14573 174.6
[M+HCOO]- 389.14667 199.6
[M+CH3COO]- 403.16232 211.4
[M+Na-2H]- 365.12314 180.8
[M]+ 344.14792 175.3
[M]- 344.14902 175.3
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