CID 203249

14079-63-1

Structural Information

Molecular Formula
C16H17N3
SMILES
CN1CC(N=C(N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3/c1-19-12-15(13-8-4-2-5-9-13)17-16(18-19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,17,18)
InChIKey
NMVKXWVCWDQWOV-UHFFFAOYSA-N
Compound name
1-methyl-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

251.14224 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 160.3
[M+Na]+ 274.13146 166.8
[M-H]- 250.13496 163.9
[M+NH4]+ 269.17606 171.9
[M+K]+ 290.10540 160.3
[M+H-H2O]+ 234.13950 149.5
[M+HCOO]- 296.14044 176.8
[M+CH3COO]- 310.15609 170.1
[M+Na-2H]- 272.11691 165.9
[M]+ 251.14169 154.9
[M]- 251.14279 154.9
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