CID 13161309

3,4-dihydro-4-(3-chlorophenyl)-6-(4,5-dihydro-5-methyl-1h-pyrazol-1-yl)-s-triazin-2-amine hcl

Structural Information

Molecular Formula
C13H15ClN6
SMILES
CC1CC=NN1C2=NC(N=C(N2)N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C13H15ClN6/c1-8-5-6-16-20(8)13-18-11(17-12(15)19-13)9-3-2-4-10(14)7-9/h2-4,6-8,11H,5H2,1H3,(H3,15,17,18,19)
InChIKey
DPBNJCBPWGACMZ-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,4-dihydro-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10468 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11196 168.6
[M+Na]+ 313.09390 178.0
[M-H]- 289.09740 170.2
[M+NH4]+ 308.13850 178.7
[M+K]+ 329.06784 170.3
[M+H-H2O]+ 273.10194 157.4
[M+HCOO]- 335.10288 179.8
[M+CH3COO]- 349.11853 177.8
[M+Na-2H]- 311.07935 170.0
[M]+ 290.10413 165.1
[M]- 290.10523 165.1
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.