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 170.2
[M+Na]+ 302.16277 177.8
[M-H]- 278.16627 174.3
[M+NH4]+ 297.20737 181.4
[M+K]+ 318.13671 170.8
[M+H-H2O]+ 262.17081 159.4
[M+HCOO]- 324.17175 186.0
[M+CH3COO]- 338.18740 179.9
[M+Na-2H]- 300.14822 173.2
[M]+ 279.17300 166.3
[M]- 279.17410 166.3
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

patents stripe