CID 30655

21480-09-1

Structural Information

Molecular Formula
C24H42N2O4
SMILES
CC[N+](CC)(CC)CCOC(=O)C1=CC=CC=C1C(=O)OCC[N+](CC)(CC)CC
InChI
InChI=1S/C24H42N2O4/c1-7-25(8-2,9-3)17-19-29-23(27)21-15-13-14-16-22(21)24(28)30-20-18-26(10-4,11-5)12-6/h13-16H,7-12,17-20H2,1-6H3/q+2
InChIKey
DEZFICMSEDZXMH-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-[2-(triethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.31445 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.32173 206.5
[M+Na]+ 445.30367 207.8
[M-H]- 421.30717 211.3
[M+NH4]+ 440.34827 226.0
[M+K]+ 461.27761 195.6
[M+H-H2O]+ 405.31171 203.6
[M+HCOO]- 467.31265 242.7
[M+CH3COO]- 481.32830 225.5
[M+Na-2H]- 443.28912 212.7
[M]+ 422.31390 212.4
[M]- 422.31500 212.4
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.