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

186
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 173.5
[M+Na]+ 310.22537 179.1
[M-H]- 286.22887 175.3
[M+NH4]+ 305.26997 184.2
[M+K]+ 326.19931 176.4
[M+H-H2O]+ 270.23341 157.7
[M+HCOO]- 332.23435 184.7
[M+CH3COO]- 346.25000 233.7
[M+Na-2H]- 308.21082 172.1
[M]+ 287.23560 168.1
[M]- 287.23670 168.1
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