CID 18533

3196-50-7

Structural Information

Molecular Formula
C19H20N
SMILES
CC1=[N+](C2CCC1(C3=CC=CC=C23)C4=CC=CC=C4)C
InChI
InChI=1S/C19H20N/c1-14-19(15-8-4-3-5-9-15)13-12-18(20(14)2)16-10-6-7-11-17(16)19/h3-11,18H,12-13H2,1-2H3/q+1
InChIKey
BWPQYCRPDSURPM-UHFFFAOYSA-N
Compound name
9,10-dimethyl-1-phenyl-9-azoniatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.15958 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16686 162.5
[M+Na]+ 285.14880 168.9
[M-H]- 261.15230 164.7
[M+NH4]+ 280.19340 183.9
[M+K]+ 301.12274 157.9
[M+H-H2O]+ 245.15684 155.3
[M+HCOO]- 307.15778 174.6
[M+CH3COO]- 321.17343 172.5
[M+Na-2H]- 283.13425 175.4
[M]+ 262.15903 163.4
[M]- 262.16013 163.4
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.