CID 464889

Chembl52688

Structural Information

Molecular Formula
C18H22N6O3
SMILES
CN(CC1=NC2=C(C=C1)N=C(N=C2N)N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)
InChIKey
DQLHWXMDFBDATJ-UHFFFAOYSA-N
Compound name
6-[(3,4,5-trimethoxy-N-methylanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

370.17532 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18260 190.5
[M+Na]+ 393.16454 199.2
[M-H]- 369.16804 195.7
[M+NH4]+ 388.20914 199.5
[M+K]+ 409.13848 195.8
[M+H-H2O]+ 353.17258 179.2
[M+HCOO]- 415.17352 211.9
[M+CH3COO]- 429.18917 230.9
[M+Na-2H]- 391.14999 194.5
[M]+ 370.17477 195.0
[M]- 370.17587 195.0
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.