CID 457370

Chembl345757

Structural Information

Molecular Formula
C16H17ClN6O
SMILES
COCC1=C2C(=NC(=NC2=NC=C1CNC3=CC=C(C=C3)Cl)N)N
InChI
InChI=1S/C16H17ClN6O/c1-24-8-12-9(6-20-11-4-2-10(17)3-5-11)7-21-15-13(12)14(18)22-16(19)23-15/h2-5,7,20H,6,8H2,1H3,(H4,18,19,21,22,23)
InChIKey
NSJGVWKLWMQNNS-UHFFFAOYSA-N
Compound name
6-[(4-chloroanilino)methyl]-5-(methoxymethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

344.11523 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12251 180.6
[M+Na]+ 367.10445 190.4
[M-H]- 343.10795 183.8
[M+NH4]+ 362.14905 190.9
[M+K]+ 383.07839 183.1
[M+H-H2O]+ 327.11249 170.6
[M+HCOO]- 389.11343 197.3
[M+CH3COO]- 403.12908 190.2
[M+Na-2H]- 365.08990 186.4
[M]+ 344.11468 182.3
[M]- 344.11578 182.3
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.