CID 511810

Chembl149099

Structural Information

Molecular Formula
C15H13Cl3N6
SMILES
CN(CC1=CC2=C(N=C(N=C2N=C1)N)N)C3=CC(=C(C(=C3)Cl)Cl)Cl
InChI
InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,6H2,1H3,(H4,19,20,21,22,23)
InChIKey
BAJKEZKTPVSDCJ-UHFFFAOYSA-N
Compound name
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

1
References

0
Patents

382.02673 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03401 185.3
[M+Na]+ 405.01595 196.5
[M-H]- 381.01945 187.9
[M+NH4]+ 400.06055 195.5
[M+K]+ 420.98989 189.2
[M+H-H2O]+ 365.02399 176.5
[M+HCOO]- 427.02493 191.9
[M+CH3COO]- 441.04058 194.1
[M+Na-2H]- 403.00140 187.9
[M]+ 382.02618 188.5
[M]- 382.02728 188.5
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.