CID 505407

4-[[4-[(2,6-dichlorophenyl)methyl]-6-(diethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile

Structural Information

Molecular Formula
C21H20Cl2N6
SMILES
CCN(CC)C1=NC(=NC(=N1)NC2=CC=C(C=C2)C#N)CC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C21H20Cl2N6/c1-3-29(4-2)21-27-19(12-16-17(22)6-5-7-18(16)23)26-20(28-21)25-15-10-8-14(13-24)9-11-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,27,28)
InChIKey
SMCUVGMDMTYXAD-UHFFFAOYSA-N
Compound name
4-[[4-[(2,6-dichlorophenyl)methyl]-6-(diethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.11264 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.11992 200.4
[M+Na]+ 449.10186 210.3
[M-H]- 425.10536 203.4
[M+NH4]+ 444.14646 206.2
[M+K]+ 465.07580 201.2
[M+H-H2O]+ 409.10990 182.1
[M+HCOO]- 471.11084 208.7
[M+CH3COO]- 485.12649 206.7
[M+Na-2H]- 447.08731 201.6
[M]+ 426.11209 199.5
[M]- 426.11319 199.5
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.