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]+ 387.19280 196.4
[M+Na]+ 409.17474 204.9
[M-H]- 385.17824 202.9
[M+NH4]+ 404.21934 203.6
[M+K]+ 425.14868 197.1
[M+H-H2O]+ 369.18278 184.1
[M+HCOO]- 431.18372 216.7
[M+CH3COO]- 445.19937 204.9
[M+Na-2H]- 407.16019 201.6
[M]+ 386.18497 195.7
[M]- 386.18607 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.