CID 456896

Chembl420224

Structural Information

Molecular Formula
C15H13Cl3N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC(=C(C(=C3)Cl)Cl)Cl)N)N
InChI
InChI=1S/C15H13Cl3N6/c1-6-7(4-21-8-2-9(16)12(18)10(17)3-8)5-22-14-11(6)13(19)23-15(20)24-14/h2-3,5,21H,4H2,1H3,(H4,19,20,22,23,24)
InChIKey
CWTSTOMTDDHBJU-UHFFFAOYSA-N
Compound name
5-methyl-6-[(3,4,5-trichloroanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

382.02673 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03401 186.9
[M+Na]+ 405.01595 198.9
[M-H]- 381.01945 188.5
[M+NH4]+ 400.06055 196.8
[M+K]+ 420.98989 190.4
[M+H-H2O]+ 365.02399 178.6
[M+HCOO]- 427.02493 193.0
[M+CH3COO]- 441.04058 195.5
[M+Na-2H]- 403.00140 189.3
[M]+ 382.02618 189.2
[M]- 382.02728 189.2
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.