CID 6433831

Ammonium, diisobutyl(5-diisobutylamino-2,4-pentadienylidene)-, perchlorate

Structural Information

Molecular Formula
C21H41N2
SMILES
CC(C)CN(CC(C)C)/C=C/C=C/C=[N+](CC(C)C)CC(C)C
InChI
InChI=1S/C21H41N2/c1-18(2)14-22(15-19(3)4)12-10-9-11-13-23(16-20(5)6)17-21(7)8/h9-13,18-21H,14-17H2,1-8H3/q+1
InChIKey
JFIIDQGCXJWJQP-UHFFFAOYSA-N
Compound name
[(2E,4E)-5-[bis(2-methylpropyl)amino]penta-2,4-dienylidene]-bis(2-methylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.32697 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.33425 192.1
[M+Na]+ 344.31619 192.3
[M-H]- 320.31969 193.4
[M+NH4]+ 339.36079 207.0
[M+K]+ 360.29013 185.6
[M+H-H2O]+ 304.32423 187.6
[M+HCOO]- 366.32517 210.5
[M+CH3COO]- 380.34082 220.2
[M+Na-2H]- 342.30164 187.6
[M]+ 321.32642 193.7
[M]- 321.32752 193.7
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.