CID 211781

23570-10-7

Structural Information

Molecular Formula
C18H21N3
SMILES
CC1C(N=C(NN1C)C2=CC=CC=C2C)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3/c1-13-9-7-8-12-16(13)18-19-17(14(2)21(3)20-18)15-10-5-4-6-11-15/h4-12,14,17H,1-3H3,(H,19,20)
InChIKey
NOGGNHRJZQLAHW-UHFFFAOYSA-N
Compound name
1,6-dimethyl-3-(2-methylphenyl)-5-phenyl-5,6-dihydro-2H-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.17355 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18083 170.1
[M+Na]+ 302.16277 186.7
[M+NH4]+ 297.20737 178.3
[M+K]+ 318.13671 177.7
[M-H]- 278.16627 175.8
[M+Na-2H]- 300.14822 180.2
[M]+ 279.17300 174.3
[M]- 279.17410 174.3
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.