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]+ 331.31078 183.4
[M+Na]+ 353.29272 186.6
[M-H]- 329.29622 188.6
[M+NH4]+ 348.33732 198.3
[M+K]+ 369.26666 171.7
[M+H-H2O]+ 313.30076 181.5
[M+HCOO]- 375.30170 204.6
[M+CH3COO]- 389.31735 212.8
[M+Na-2H]- 351.27817 192.0
[M]+ 330.30295 184.9
[M]- 330.30405 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.