CID 51950

73637-03-3

Structural Information

Molecular Formula
C18H42N3O3
SMILES
C[N+](C)(C)CCC1OC(OC(O1)CC[N+](C)(C)C)CC[N+](C)(C)C
InChI
InChI=1S/C18H42N3O3/c1-19(2,3)13-10-16-22-17(11-14-20(4,5)6)24-18(23-16)12-15-21(7,8)9/h16-18H,10-15H2,1-9H3/q+3
InChIKey
NEWPNYCKZHTWJP-UHFFFAOYSA-N
Compound name
2-[4,6-bis[2-(trimethylazaniumyl)ethyl]-1,3,5-trioxan-2-yl]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.32263 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.32991 177.5
[M+Na]+ 371.31185 179.5
[M-H]- 347.31535 185.7
[M+NH4]+ 366.35645 188.0
[M+K]+ 387.28579 167.3
[M+H-H2O]+ 331.31989 178.9
[M+HCOO]- 393.32083 193.4
[M+CH3COO]- 407.33648 213.9
[M+Na-2H]- 369.29730 193.5
[M]+ 348.32208 179.3
[M]- 348.32318 179.3
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.