CID 456895

Chembl82975

Structural Information

Molecular Formula
C16H16Cl2N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN(C)C3=CC(=C(C=C3)Cl)Cl)N)N
InChI
InChI=1S/C16H16Cl2N6/c1-8-9(6-21-15-13(8)14(19)22-16(20)23-15)7-24(2)10-3-4-11(17)12(18)5-10/h3-6H,7H2,1-2H3,(H4,19,20,21,22,23)
InChIKey
JHSUWQJDEDXPGP-UHFFFAOYSA-N
Compound name
6-[(3,4-dichloro-N-methylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

362.08136 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08864 185.5
[M+Na]+ 385.07058 196.6
[M-H]- 361.07408 189.5
[M+NH4]+ 380.11518 196.4
[M+K]+ 401.04452 189.3
[M+H-H2O]+ 345.07862 176.1
[M+HCOO]- 407.07956 197.3
[M+CH3COO]- 421.09521 195.1
[M+Na-2H]- 383.05603 188.7
[M]+ 362.08081 188.7
[M]- 362.08191 188.7
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.