CID 45643

M & b 2363

Structural Information

Molecular Formula
C23H44N2
SMILES
CC[N+](CC)(CC)CCCCCC1=CC=C(C=C1)[N+](CC)(CC)CC
InChI
InChI=1S/C23H44N2/c1-7-24(8-2,9-3)21-15-13-14-16-22-17-19-23(20-18-22)25(10-4,11-5)12-6/h17-20H,7-16,21H2,1-6H3/q+2
InChIKey
NVUCKKUQKSASBU-UHFFFAOYSA-N
Compound name
triethyl-[4-[5-(triethylazaniumyl)pentyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.35046 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.35774 190.9
[M+Na]+ 371.33968 193.1
[M-H]- 347.34318 195.8
[M+NH4]+ 366.38428 205.2
[M+K]+ 387.31362 179.2
[M+H-H2O]+ 331.34772 188.7
[M+HCOO]- 393.34866 211.4
[M+CH3COO]- 407.36431 218.2
[M+Na-2H]- 369.32513 198.9
[M]+ 348.34991 194.2
[M]- 348.35101 194.2
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.