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

1
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

patents stripe