CID 211778

23569-77-9

Structural Information

Molecular Formula
C17H18ClN3
SMILES
CC1C(N=C(NN1C)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H18ClN3/c1-12-16(13-6-4-3-5-7-13)19-17(20-21(12)2)14-8-10-15(18)11-9-14/h3-12,16H,1-2H3,(H,19,20)
InChIKey
RJTWYMNCIBSECT-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1,6-dimethyl-5-phenyl-5,6-dihydro-2H-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11893 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12621 171.9
[M+Na]+ 322.10815 189.5
[M+NH4]+ 317.15275 180.6
[M+K]+ 338.08209 179.8
[M-H]- 298.11165 177.6
[M+Na-2H]- 320.09360 182.2
[M]+ 299.11838 176.6
[M]- 299.11948 176.6
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

No patent data available for this compound.