CID 473787

6-[(2,5-dichloroanilino)methyl]-2-methyl-pyrido[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C15H13Cl2N5
SMILES
CC1=NC(=C2C=C(C=NC2=N1)CNC3=C(C=CC(=C3)Cl)Cl)N
InChI
InChI=1S/C15H13Cl2N5/c1-8-21-14(18)11-4-9(7-20-15(11)22-8)6-19-13-5-10(16)2-3-12(13)17/h2-5,7,19H,6H2,1H3,(H2,18,20,21,22)
InChIKey
WOYPZKDJQNXNFW-UHFFFAOYSA-N
Compound name
6-[(2,5-dichloroanilino)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0548 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06208 175.4
[M+Na]+ 356.04402 186.8
[M-H]- 332.04752 178.1
[M+NH4]+ 351.08862 187.2
[M+K]+ 372.01796 178.5
[M+H-H2O]+ 316.05206 166.1
[M+HCOO]- 378.05300 186.5
[M+CH3COO]- 392.06865 185.4
[M+Na-2H]- 354.02947 181.0
[M]+ 333.05425 178.1
[M]- 333.05535 178.1
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.