CID 203077

13757-50-1

Structural Information

Molecular Formula
C24H46N2
SMILES
CCCC[N+](C)(CCCC)CCCC[N+]1(CC2C3CCC(C2C1)C=C3)C
InChI
InChI=1S/C24H46N2/c1-5-7-15-25(3,16-8-6-2)17-9-10-18-26(4)19-23-21-11-12-22(14-13-21)24(23)20-26/h11-12,21-24H,5-10,13-20H2,1-4H3/q+2
InChIKey
YIBFSPNKWAEXKT-UHFFFAOYSA-N
Compound name
dibutyl-methyl-[4-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)butyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.3661 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.37338 195.0
[M+Na]+ 385.35532 194.6
[M-H]- 361.35882 192.5
[M+NH4]+ 380.39992 214.5
[M+K]+ 401.32926 179.0
[M+H-H2O]+ 345.36336 192.4
[M+HCOO]- 407.36430 201.9
[M+CH3COO]- 421.37995 217.8
[M+Na-2H]- 383.34077 203.3
[M]+ 362.36555 195.9
[M]- 362.36665 195.9
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.