CID 472912

Chembl149301

Structural Information

Molecular Formula
C16H18N6O2
SMILES
COC1=C(C=C(C=C1)NCC2=CC3=C(N=C(N=C3N=C2)N)N)OC
InChI
InChI=1S/C16H18N6O2/c1-23-12-4-3-10(6-13(12)24-2)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
InChIKey
JPEICZNOYPQPLT-UHFFFAOYSA-N
Compound name
6-[(3,4-dimethoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.1491 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15638 177.1
[M+Na]+ 349.13832 186.0
[M-H]- 325.14182 180.8
[M+NH4]+ 344.18292 187.1
[M+K]+ 365.11226 180.8
[M+H-H2O]+ 309.14636 166.4
[M+HCOO]- 371.14730 198.6
[M+CH3COO]- 385.16295 218.3
[M+Na-2H]- 347.12377 183.6
[M]+ 326.14855 178.0
[M]- 326.14965 178.0
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.