CID 9575374

Chembl73673

Structural Information

Molecular Formula
C20H17Cl2N7
SMILES
CN(C)/C=N\C1=NC(=NC(=N1)NC2=CC=C(C=C2)C#N)CC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C20H17Cl2N7/c1-29(2)12-24-19-26-18(10-15-16(21)4-3-5-17(15)22)27-20(28-19)25-14-8-6-13(11-23)7-9-14/h3-9,12H,10H2,1-2H3,(H,25,26,27,28)/b24-12-
InChIKey
WQEMDXNZAJYTOF-MSXFZWOLSA-N
Compound name
N'-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.09225 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.09953 202.4
[M+Na]+ 448.08147 212.4
[M-H]- 424.08497 206.5
[M+NH4]+ 443.12607 208.3
[M+K]+ 464.05541 203.9
[M+H-H2O]+ 408.08951 183.7
[M+HCOO]- 470.09045 213.1
[M+CH3COO]- 484.10610 208.8
[M+Na-2H]- 446.06692 204.5
[M]+ 425.09170 201.4
[M]- 425.09280 201.4
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.