CID 3074794

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

Structural Information

Molecular Formula
C18H21N3O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC)C2=CC3=C(C=C2)OCO3)C(=O)NC
InChI
InChI=1S/C18H21N3O4/c1-9-14(17(22)19-3)16(15(10(2)21-9)18(23)20-4)11-5-6-12-13(7-11)25-8-24-12/h5-7,16,21H,8H2,1-4H3,(H,19,22)(H,20,23)
InChIKey
QFJLJHSNWSHZLC-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1532 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16048 184.5
[M+Na]+ 366.14242 190.9
[M-H]- 342.14592 191.2
[M+NH4]+ 361.18702 195.7
[M+K]+ 382.11636 189.1
[M+H-H2O]+ 326.15046 176.8
[M+HCOO]- 388.15140 201.6
[M+CH3COO]- 402.16705 216.9
[M+Na-2H]- 364.12787 185.0
[M]+ 343.15265 185.2
[M]- 343.15375 185.2
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.