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 166.3
[M+Na]+ 289.14236 173.9
[M-H]- 265.14586 168.9
[M+NH4]+ 284.18696 176.2
[M+K]+ 305.11630 166.9
[M+H-H2O]+ 249.15040 154.8
[M+HCOO]- 311.15134 181.3
[M+CH3COO]- 325.16699 175.6
[M+Na-2H]- 287.12781 171.1
[M]+ 266.15259 161.8
[M]- 266.15369 161.8
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