CID 9579165

N-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamidine

Structural Information

Molecular Formula
C19H15Cl2N7
SMILES
C/C(=N/C1=NC(=NC(=N1)NC2=CC=C(C=C2)C#N)CC3=C(C=CC=C3Cl)Cl)/N
InChI
InChI=1S/C19H15Cl2N7/c1-11(23)24-18-26-17(9-14-15(20)3-2-4-16(14)21)27-19(28-18)25-13-7-5-12(10-22)6-8-13/h2-8H,9H2,1H3,(H3,23,24,25,26,27,28)
InChIKey
RPYKQQYMXIMKSX-UHFFFAOYSA-N
Compound name
N'-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.0766 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.08388 199.8
[M+Na]+ 434.06582 209.9
[M-H]- 410.06932 202.7
[M+NH4]+ 429.11042 205.6
[M+K]+ 450.03976 200.8
[M+H-H2O]+ 394.07386 182.0
[M+HCOO]- 456.07480 209.2
[M+CH3COO]- 470.09045 205.9
[M+Na-2H]- 432.05127 201.2
[M]+ 411.07605 196.2
[M]- 411.07715 196.2
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.