CID 3070038

3-pyridinecarboxamide, n-(4-(3,4-dichlorophenyl)-6-(diethylamino)-1,3,5-triazin-2-yl)-

Structural Information

Molecular Formula
C19H18Cl2N6O
SMILES
CCN(CC)C1=NC(=NC(=N1)NC(=O)C2=CN=CC=C2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N6O/c1-3-27(4-2)19-24-16(12-7-8-14(20)15(21)10-12)23-18(26-19)25-17(28)13-6-5-9-22-11-13/h5-11H,3-4H2,1-2H3,(H,23,24,25,26,28)
InChIKey
GMQDGNSTWMESNZ-UHFFFAOYSA-N
Compound name
N-[4-(3,4-dichlorophenyl)-6-(diethylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.09192 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.09920 194.8
[M+Na]+ 439.08114 203.3
[M-H]- 415.08464 199.8
[M+NH4]+ 434.12574 200.8
[M+K]+ 455.05508 196.0
[M+H-H2O]+ 399.08918 182.4
[M+HCOO]- 461.09012 205.3
[M+CH3COO]- 475.10577 203.0
[M+Na-2H]- 437.06659 198.3
[M]+ 416.09137 199.8
[M]- 416.09247 199.8
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.