CID 456217

Chembl115788

Structural Information

Molecular Formula
C19H22N6O4
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN(C=O)C3=CC(=C(C(=C3)OC)OC)OC)N)N
InChI
InChI=1S/C19H22N6O4/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/h5-7,9H,8H2,1-4H3,(H4,20,21,22,23,24)
InChIKey
NVXBRAPCGLNLDM-UHFFFAOYSA-N
Compound name
N-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

398.17026 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17754 197.6
[M+Na]+ 421.15948 206.7
[M-H]- 397.16298 203.0
[M+NH4]+ 416.20408 205.4
[M+K]+ 437.13342 203.4
[M+H-H2O]+ 381.16752 186.2
[M+HCOO]- 443.16846 218.9
[M+CH3COO]- 457.18411 236.8
[M+Na-2H]- 419.14493 200.4
[M]+ 398.16971 203.5
[M]- 398.17081 203.5
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