CID 108562

(3-(dihexylamino)allylidene)malononitrile

Structural Information

Molecular Formula
C18H29N3
SMILES
CCCCCCN(CCCCCC)C=CC=C(C#N)C#N
InChI
InChI=1S/C18H29N3/c1-3-5-7-9-13-21(14-10-8-6-4-2)15-11-12-18(16-19)17-20/h11-12,15H,3-10,13-14H2,1-2H3
InChIKey
UKMOTPPGNSDWRI-UHFFFAOYSA-N
Compound name
2-[3-(dihexylamino)prop-2-enylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

176
Patents

287.23615 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.24343 190.4
[M+Na]+ 310.22537 196.0
[M+NH4]+ 305.26997 189.6
[M+K]+ 326.19931 184.6
[M-H]- 286.22887 179.2
[M+Na-2H]- 308.21082 186.5
[M]+ 287.23560 186.6
[M]- 287.23670 186.6
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