CID 90750

22187-44-6

Structural Information

Molecular Formula
C19H21N3
SMILES
CN1CCN=C(N1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C19H21N3/c1-22-13-12-20-19(21-22)18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,20,21)
InChIKey
FETNWXJSWHYMGH-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5,6-dihydro-2H-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.17355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.180826 171.6
[M+Na]+ 314.162768 177.7
[M-H]- 290.166274 175.0
[M+NH4]+ 309.207373 183.4
[M+K]+ 330.136708 174.1
[M+H-H2O]+ 274.170810 161.5
[M+HCOO]- 336.171751 183.8
[M+CH3COO]- 350.187401 180.0
[M+Na-2H]- 312.148216 176.8
[M]+ 291.17300142 163.7
[M]- 291.17409858 163.7
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.