CID 382165

Chembl22623

Structural Information

Molecular Formula
C18H22N6O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN(C)C3=CC(=CC(=C3)OC)OC)N)N
InChI
InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)12-5-13(25-3)7-14(6-12)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
InChIKey
RDQGYDXYMFVTRP-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethoxy-N-methylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

354.18042 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18770 188.3
[M+Na]+ 377.16964 197.3
[M-H]- 353.17314 193.4
[M+NH4]+ 372.21424 198.0
[M+K]+ 393.14358 193.1
[M+H-H2O]+ 337.17768 177.2
[M+HCOO]- 399.17862 209.5
[M+CH3COO]- 413.19427 228.6
[M+Na-2H]- 375.15509 192.1
[M]+ 354.17987 191.4
[M]- 354.18097 191.4
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.