CID 6481089

Chembl190340

Structural Information

Molecular Formula
C23H23N5O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OCC4=CC=CC=C4)N)N
InChI
InChI=1S/C23H23N5O2/c1-14-17(12-26-22-20(14)21(24)27-23(25)28-22)10-16-11-18(29-2)8-9-19(16)30-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H4,24,25,26,27,28)
InChIKey
DSEIBQNRLLYRRC-UHFFFAOYSA-N
Compound name
6-[(5-methoxy-2-phenylmethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.18518 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19246 201.5
[M+Na]+ 424.17440 210.1
[M-H]- 400.17790 207.8
[M+NH4]+ 419.21900 208.2
[M+K]+ 440.14834 202.8
[M+H-H2O]+ 384.18244 188.8
[M+HCOO]- 446.18338 220.4
[M+CH3COO]- 460.19903 209.8
[M+Na-2H]- 422.15985 205.3
[M]+ 401.18463 202.9
[M]- 401.18573 202.9
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.