CID 457174

Chembl117172

Structural Information

Molecular Formula
C19H26N6O4
SMILES
CC1C(CNC2=NC(=NC(=C12)N)N)CN(C=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H26N6O4/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25(9-26)12-5-13(27-2)16(29-4)14(6-12)28-3/h5-6,9-11H,7-8H2,1-4H3,(H5,20,21,22,23,24)
InChIKey
KEUSNGFSTRDXNE-UHFFFAOYSA-N
Compound name
N-[(2,4-diamino-5-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.20154 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20882 198.6
[M+Na]+ 425.19076 205.3
[M-H]- 401.19426 201.8
[M+NH4]+ 420.23536 205.5
[M+K]+ 441.16470 201.8
[M+H-H2O]+ 385.19880 187.7
[M+HCOO]- 447.19974 215.6
[M+CH3COO]- 461.21539 235.7
[M+Na-2H]- 423.17621 199.2
[M]+ 402.20099 200.0
[M]- 402.20209 200.0
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.