CID 457371

Chembl150835

Structural Information

Molecular Formula
C18H22N6O3
SMILES
COCC1=C2C(=NC(=NC2=NC=C1CNC3=C(C=CC(=C3)OC)OC)N)N
InChI
InChI=1S/C18H22N6O3/c1-25-9-12-10(8-22-17-15(12)16(19)23-18(20)24-17)7-21-13-6-11(26-2)4-5-14(13)27-3/h4-6,8,21H,7,9H2,1-3H3,(H4,19,20,22,23,24)
InChIKey
YRFRXUOIOLFVJI-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethoxyanilino)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

370.17532 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18260 189.7
[M+Na]+ 393.16454 198.3
[M-H]- 369.16804 193.4
[M+NH4]+ 388.20914 198.0
[M+K]+ 409.13848 193.5
[M+H-H2O]+ 353.17258 178.5
[M+HCOO]- 415.17352 210.6
[M+CH3COO]- 429.18917 227.8
[M+Na-2H]- 391.14999 194.5
[M]+ 370.17477 193.0
[M]- 370.17587 193.0
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.