CID 5931741

183594-86-7

Structural Information

Molecular Formula
C18H22N4
SMILES
CN(/C=C/C1=CC(=NC=C1)C2=NC=CC(=C2)/C=C/N(C)C)C
InChI
InChI=1S/C18H22N4/c1-21(2)11-7-15-5-9-19-17(13-15)18-14-16(6-10-20-18)8-12-22(3)4/h5-14H,1-4H3/b11-7+,12-8+
InChIKey
PMOOYDXWOVKBRY-MKICQXMISA-N
Compound name
(E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]pyridin-2-yl]pyridin-4-yl]-N,N-dimethylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.18445 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.19173 173.3
[M+Na]+ 317.17367 179.4
[M-H]- 293.17717 179.7
[M+NH4]+ 312.21827 186.7
[M+K]+ 333.14761 175.5
[M+H-H2O]+ 277.18171 162.7
[M+HCOO]- 339.18265 197.2
[M+CH3COO]- 353.19830 215.2
[M+Na-2H]- 315.15912 177.4
[M]+ 294.18390 175.2
[M]- 294.18500 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe