CID 202181

7644-66-8

Structural Information

Molecular Formula
C16H18N4
SMILES
CC1C(N=C(NN1C)C2=CN=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H18N4/c1-12-15(13-7-4-3-5-8-13)18-16(19-20(12)2)14-9-6-10-17-11-14/h3-12,15H,1-2H3,(H,18,19)
InChIKey
WECSIJRHAJTOBH-UHFFFAOYSA-N
Compound name
1,6-dimethyl-5-phenyl-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.15314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16042 165.4
[M+Na]+ 289.14236 181.7
[M+NH4]+ 284.18696 173.0
[M+K]+ 305.11630 173.3
[M-H]- 265.14586 170.1
[M+Na-2H]- 287.12781 175.7
[M]+ 266.15259 169.1
[M]- 266.15369 169.1
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.