CID 211779

1,6-dimethyl-3,5-diphenyl-1,2,5,6-tetrahydro-1,2,4-triazine

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]+ 266.165176 165.3
[M+Na]+ 288.147118 172.4
[M-H]- 264.150624 169.2
[M+NH4]+ 283.191723 176.7
[M+K]+ 304.121058 165.6
[M+H-H2O]+ 248.155160 154.5
[M+HCOO]- 310.156101 181.4
[M+CH3COO]- 324.171751 175.1
[M+Na-2H]- 286.132566 169.6
[M]+ 265.15735142 160.6
[M]- 265.15844858 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