CID 120647

Mi 65-s

Structural Information

Molecular Formula
C25H34N2
SMILES
C[N+]1(CC2C(C1)C3C4=CC=CC=C4C2C5=CC=CC=C35)CCC[N+](C)(C)C
InChI
InChI=1S/C25H34N2/c1-26(2,3)14-9-15-27(4)16-22-23(17-27)25-19-11-6-5-10-18(19)24(22)20-12-7-8-13-21(20)25/h5-8,10-13,22-25H,9,14-17H2,1-4H3/q+2
InChIKey
LLFBDEKRVODSKU-UHFFFAOYSA-N
Compound name
trimethyl-[3-(17-methyl-17-azoniapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2722 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.27948 180.1
[M+Na]+ 385.26142 197.2
[M+NH4]+ 380.30602 195.6
[M+K]+ 401.23536 187.9
[M-H]- 361.26492 187.9
[M+Na-2H]- 383.24687 186.0
[M]+ 362.27165 186.1
[M]- 362.27275 186.1
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.