CID 5475712

Nsc 161504

Structural Information

Molecular Formula
C17H33N2
SMILES
CCCN(CCC)/C=C/C=C/C=[N+](CCC)CCC
InChI
InChI=1S/C17H33N2/c1-5-12-18(13-6-2)16-10-9-11-17-19(14-7-3)15-8-4/h9-11,16-17H,5-8,12-15H2,1-4H3/q+1
InChIKey
NDCPWZROEQHNSK-UHFFFAOYSA-N
Compound name
[(2E,4E)-5-(dipropylamino)penta-2,4-dienylidene]-dipropylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.26437 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.27165 173.5
[M+Na]+ 288.25359 176.1
[M-H]- 264.25709 175.2
[M+NH4]+ 283.29819 190.9
[M+K]+ 304.22753 168.5
[M+H-H2O]+ 248.26163 169.1
[M+HCOO]- 310.26257 197.1
[M+CH3COO]- 324.27822 205.4
[M+Na-2H]- 286.23904 175.9
[M]+ 265.26382 176.3
[M]- 265.26492 176.3
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

No patent data available for this compound.