CID 211779

23569-79-1

Structural Information

Molecular Formula
C17H19N3
SMILES
CC1C(N=C(NN1C)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N3/c1-13-16(14-9-5-3-6-10-14)18-17(19-20(13)2)15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,18,19)
InChIKey
SDAXPVZJYBXMLV-UHFFFAOYSA-N
Compound name
1,6-dimethyl-3,5-diphenyl-5,6-dihydro-2H-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1579 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 165.3
[M+Na]+ 288.14712 172.4
[M-H]- 264.15062 169.2
[M+NH4]+ 283.19172 176.7
[M+K]+ 304.12106 165.6
[M+H-H2O]+ 248.15516 154.5
[M+HCOO]- 310.15610 181.4
[M+CH3COO]- 324.17175 175.1
[M+Na-2H]- 286.13257 169.6
[M]+ 265.15735 160.6
[M]- 265.15845 160.6
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