CID 432804

Nsc315139

Structural Information

Molecular Formula
C22H38N2
SMILES
CC[N+](CC)(CC=C)CC1=CC=C(C=C1)C[N+](CC)(CC)CC=C
InChI
InChI=1S/C22H38N2/c1-7-17-23(9-3,10-4)19-21-13-15-22(16-14-21)20-24(11-5,12-6)18-8-2/h7-8,13-16H,1-2,9-12,17-20H2,3-6H3/q+2
InChIKey
ZKANZKIDVGLYTH-UHFFFAOYSA-N
Compound name
[4-[[diethyl(prop-2-enyl)azaniumyl]methyl]phenyl]methyl-diethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.3035 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.310776 183.4
[M+Na]+ 353.292718 186.6
[M-H]- 329.296224 188.6
[M+NH4]+ 348.337323 198.3
[M+K]+ 369.266658 171.7
[M+H-H2O]+ 313.300760 181.5
[M+HCOO]- 375.301701 204.6
[M+CH3COO]- 389.317351 212.8
[M+Na-2H]- 351.278166 192.0
[M]+ 330.30295142 184.9
[M]- 330.30404858 184.9
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.