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
3
Annotation Hits

0
References

225
Patents

287.23615 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.243426 173.5
[M+Na]+ 310.225368 179.1
[M-H]- 286.228874 175.3
[M+NH4]+ 305.269973 184.2
[M+K]+ 326.199308 176.4
[M+H-H2O]+ 270.233410 157.7
[M+HCOO]- 332.234351 184.7
[M+CH3COO]- 346.250001 233.7
[M+Na-2H]- 308.210816 172.1
[M]+ 287.23560142 168.1
[M]- 287.23669858 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