CID 505502

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

Structural Information

Molecular Formula
C16H10Cl2N6O
SMILES
C1=CC(=CC=C1C#N)NC2=NC(=NC(=N2)N)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N6O/c17-10-3-6-13(12(18)7-10)25-16-23-14(20)22-15(24-16)21-11-4-1-9(8-19)2-5-11/h1-7H,(H3,20,21,22,23,24)
InChIKey
DXNMFOULNYUDQR-UHFFFAOYSA-N
Compound name
4-[[4-amino-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.02933 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.03661 184.5
[M+Na]+ 395.01855 196.1
[M-H]- 371.02205 186.7
[M+NH4]+ 390.06315 191.4
[M+K]+ 410.99249 187.4
[M+H-H2O]+ 355.02659 167.4
[M+HCOO]- 417.02753 193.5
[M+CH3COO]- 431.04318 191.8
[M+Na-2H]- 393.00400 187.7
[M]+ 372.02878 181.3
[M]- 372.02988 181.3
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.