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]+ 363.279476 187.8
[M+Na]+ 385.261418 190.6
[M-H]- 361.264924 191.8
[M+NH4]+ 380.306023 207.2
[M+K]+ 401.235358 173.8
[M+H-H2O]+ 345.269460 182.2
[M+HCOO]- 407.270401 196.8
[M+CH3COO]- 421.286051 217.5
[M+Na-2H]- 383.246866 197.5
[M]+ 362.27165142 187.0
[M]- 362.27274858 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.