CID 505409

Schembl5007819

Structural Information

Molecular Formula
C19H15Cl2N7O
SMILES
C1=CC(=C(C(=C1)Cl)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)NCC(=O)N)Cl
InChI
InChI=1S/C19H15Cl2N7O/c20-14-2-1-3-15(21)13(14)8-17-26-18(24-10-16(23)29)28-19(27-17)25-12-6-4-11(9-22)5-7-12/h1-7H,8,10H2,(H2,23,29)(H2,24,25,26,27,28)
InChIKey
FDLYCDOWCWBUNF-UHFFFAOYSA-N
Compound name
2-[[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

427.0715 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.07878 200.7
[M+Na]+ 450.06072 210.1
[M-H]- 426.06422 202.6
[M+NH4]+ 445.10532 205.2
[M+K]+ 466.03466 201.3
[M+H-H2O]+ 410.06876 183.3
[M+HCOO]- 472.06970 209.1
[M+CH3COO]- 486.08535 206.2
[M+Na-2H]- 448.04617 202.0
[M]+ 427.07095 196.9
[M]- 427.07205 196.9
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.