CID 456893

Chembl81820

Structural Information

Molecular Formula
C15H14Cl2N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC(=C(C=C3)Cl)Cl)N)N
InChI
InChI=1S/C15H14Cl2N6/c1-7-8(5-20-9-2-3-10(16)11(17)4-9)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23)
InChIKey
DCPBQWMARMWVCT-UHFFFAOYSA-N
Compound name
6-[(3,4-dichloroanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

348.0657 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07298 180.9
[M+Na]+ 371.05492 192.4
[M-H]- 347.05842 183.7
[M+NH4]+ 366.09952 191.9
[M+K]+ 387.02886 184.0
[M+H-H2O]+ 331.06296 172.0
[M+HCOO]- 393.06390 192.6
[M+CH3COO]- 407.07955 190.5
[M+Na-2H]- 369.04037 185.3
[M]+ 348.06515 182.6
[M]- 348.06625 182.6
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.