CID 3063639

101320-00-7

Structural Information

Molecular Formula
C24H38N2
SMILES
C[N+]1(CC2C3CCC(C2C1)C=C3)CC[N+]4(CC5C6CCC(C5C4)C=C6)C
InChI
InChI=1S/C24H38N2/c1-25(13-21-17-3-4-18(6-5-17)22(21)14-25)11-12-26(2)15-23-19-7-8-20(10-9-19)24(23)16-26/h3-4,7-8,17-24H,5-6,9-16H2,1-2H3/q+2
InChIKey
VYEQAUKABZLRBA-UHFFFAOYSA-N
Compound name
4-methyl-4-[2-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)ethyl]-4-azoniatricyclo[5.2.2.02,6]undec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.3035 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.31078 168.0
[M+Na]+ 377.29272 165.8
[M-H]- 353.29622 163.0
[M+NH4]+ 372.33732 190.6
[M+K]+ 393.26666 148.4
[M+H-H2O]+ 337.30076 158.8
[M+HCOO]- 399.30170 163.1
[M+CH3COO]- 413.31735 171.3
[M+Na-2H]- 375.27817 173.6
[M]+ 354.30295 163.1
[M]- 354.30405 163.1
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.