CID 3077647

2-furancarboxamide, n-(2-((2,2-dicyano-1-(methylamino)ethenyl)amino)ethyl)-5-((dimethylamino)methyl)-

Structural Information

Molecular Formula
C15H20N6O2
SMILES
CNC(=C(C#N)C#N)NCCNC(=O)C1=CC=C(O1)CN(C)C
InChI
InChI=1S/C15H20N6O2/c1-18-14(11(8-16)9-17)19-6-7-20-15(22)13-5-4-12(23-13)10-21(2)3/h4-5,18-19H,6-7,10H2,1-3H3,(H,20,22)
InChIKey
VMQSCNIMUYUGLV-UHFFFAOYSA-N
Compound name
N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

316.16476 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17204 186.2
[M+Na]+ 339.15398 190.9
[M-H]- 315.15748 189.0
[M+NH4]+ 334.19858 194.4
[M+K]+ 355.12792 190.5
[M+H-H2O]+ 299.16202 168.1
[M+HCOO]- 361.16296 198.4
[M+CH3COO]- 375.17861 239.3
[M+Na-2H]- 337.13943 183.6
[M]+ 316.16421 177.8
[M]- 316.16531 177.8
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

patents stripe