CID 204296

Pk 107

Structural Information

Molecular Formula
C18H30N2O4
SMILES
C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C18H30N2O4/c1-19(2,3)11-13-23-17(21)15-7-9-16(10-8-15)18(22)24-14-12-20(4,5)6/h7-10H,11-14H2,1-6H3/q+2
InChIKey
MOYSAFQAXKVRQK-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-[2-(trimethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 177.8
[M+Na]+ 361.20977 181.8
[M-H]- 337.21327 183.9
[M+NH4]+ 356.25437 192.0
[M+K]+ 377.18371 171.0
[M+H-H2O]+ 321.21781 176.2
[M+HCOO]- 383.21875 199.3
[M+CH3COO]- 397.23440 207.9
[M+Na-2H]- 359.19522 187.2
[M]+ 338.22000 181.7
[M]- 338.22110 181.7
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.