CID 457352

Chembl279680

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
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]+ 355.187696 188.3
[M+Na]+ 377.169638 197.3
[M-H]- 353.173144 193.4
[M+NH4]+ 372.214243 198.0
[M+K]+ 393.143578 193.1
[M+H-H2O]+ 337.177680 177.2
[M+HCOO]- 399.178621 209.5
[M+CH3COO]- 413.194271 228.6
[M+Na-2H]- 375.155086 192.1
[M]+ 354.17987142 191.4
[M]- 354.18096858 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.