CID 457122

Chembl82924

Structural Information

Molecular Formula
C16H15Cl3N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN(C)C3=CC(=C(C(=C3)Cl)Cl)Cl)N)N
InChI
InChI=1S/C16H15Cl3N6/c1-7-8(5-22-15-12(7)14(20)23-16(21)24-15)6-25(2)9-3-10(17)13(19)11(18)4-9/h3-5H,6H2,1-2H3,(H4,20,21,22,23,24)
InChIKey
SSRULYXLEIMTOP-UHFFFAOYSA-N
Compound name
5-methyl-6-[(3,4,5-trichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

396.0424 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.04968 191.1
[M+Na]+ 419.03162 202.7
[M-H]- 395.03512 193.9
[M+NH4]+ 414.07622 201.0
[M+K]+ 435.00556 195.3
[M+H-H2O]+ 379.03966 182.3
[M+HCOO]- 441.04060 197.4
[M+CH3COO]- 455.05625 199.8
[M+Na-2H]- 417.01707 192.4
[M]+ 396.04185 195.0
[M]- 396.04295 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.