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 187.8
[M+Na]+ 385.26142 190.6
[M-H]- 361.26492 191.8
[M+NH4]+ 380.30602 207.2
[M+K]+ 401.23536 173.8
[M+H-H2O]+ 345.26946 182.2
[M+HCOO]- 407.27040 196.8
[M+CH3COO]- 421.28605 217.5
[M+Na-2H]- 383.24687 197.5
[M]+ 362.27165 187.0
[M]- 362.27275 187.0
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.