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]+ 292.18083 171.6
[M+Na]+ 314.16277 177.7
[M-H]- 290.16627 175.0
[M+NH4]+ 309.20737 183.4
[M+K]+ 330.13671 174.1
[M+H-H2O]+ 274.17081 161.5
[M+HCOO]- 336.17175 183.8
[M+CH3COO]- 350.18740 180.0
[M+Na-2H]- 312.14822 176.8
[M]+ 291.17300 163.7
[M]- 291.17410 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.