CID 505428

Acetamide, n-[4-(acetylamino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-n-(4-cyanophenyl)-

Structural Information

Molecular Formula
C21H16Cl2N6O2
SMILES
CC(=O)NC1=NC(=NC(=N1)CC2=C(C=CC=C2Cl)Cl)N(C3=CC=C(C=C3)C#N)C(=O)C
InChI
InChI=1S/C21H16Cl2N6O2/c1-12(30)25-20-26-19(10-16-17(22)4-3-5-18(16)23)27-21(28-20)29(13(2)31)15-8-6-14(11-24)7-9-15/h3-9H,10H2,1-2H3,(H,25,26,27,28,30)
InChIKey
SDMFZVHWQGGVLA-UHFFFAOYSA-N
Compound name
N-[4-(N-acetyl-4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.07117 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.07845 205.4
[M+Na]+ 477.06039 214.9
[M-H]- 453.06389 208.9
[M+NH4]+ 472.10499 209.8
[M+K]+ 493.03433 207.4
[M+H-H2O]+ 437.06843 187.6
[M+HCOO]- 499.06937 212.8
[M+CH3COO]- 513.08502 243.5
[M+Na-2H]- 475.04584 204.8
[M]+ 454.07062 204.6
[M]- 454.07172 204.6
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.