CID 457126

N-[(2,4-diamino-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl)methyl]-n-(3,4,5-trimethoxyphenyl)formamide

Structural Information

Molecular Formula
C19H24N6O4
SMILES
CC1C(=CNC2=NC(=NC(=C12)N)N)CN(C=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H24N6O4/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/h5-7,9-10H,8H2,1-4H3,(H5,20,21,22,23,24)
InChIKey
NWCVRWADTOTHFI-UHFFFAOYSA-N
Compound name
N-[(2,4-diamino-5-methyl-5,8-dihydropyrido[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

400.1859 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19318 198.0
[M+Na]+ 423.17512 205.7
[M-H]- 399.17862 201.6
[M+NH4]+ 418.21972 205.0
[M+K]+ 439.14906 201.9
[M+H-H2O]+ 383.18316 187.0
[M+HCOO]- 445.18410 216.4
[M+CH3COO]- 459.19975 235.2
[M+Na-2H]- 421.16057 199.5
[M]+ 400.18535 200.8
[M]- 400.18645 200.8
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.