CID 469435

Chembl357629

Structural Information

Molecular Formula
C22H22N6O
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=C(C=CC(=C3)C4=CC=CC=C4)OC)N)N
InChI
InChI=1S/C22H22N6O/c1-13-16(12-26-21-19(13)20(23)27-22(24)28-21)11-25-17-10-15(8-9-18(17)29-2)14-6-4-3-5-7-14/h3-10,12,25H,11H2,1-2H3,(H4,23,24,26,27,28)
InChIKey
DTJIMLYSVZNISK-UHFFFAOYSA-N
Compound name
6-[(2-methoxy-5-phenylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.18552 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.192796 196.4
[M+Na]+ 409.174738 204.9
[M-H]- 385.178244 202.9
[M+NH4]+ 404.219343 203.6
[M+K]+ 425.148678 197.1
[M+H-H2O]+ 369.182780 184.1
[M+HCOO]- 431.183721 216.7
[M+CH3COO]- 445.199371 204.9
[M+Na-2H]- 407.160186 201.6
[M]+ 386.18497142 195.7
[M]- 386.18606858 195.7
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.