CID 490675

4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methyl-amino]-n-[3-hydroxy-1-(hydroxymethyl)propyl]benzamide

Structural Information

Molecular Formula
C20H25N7O3
SMILES
CN(CC1=NC2=C(C=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC(CCO)CO
InChI
InChI=1S/C20H25N7O3/c1-27(10-13-4-7-16-17(23-13)18(21)26-20(22)25-16)15-5-2-12(3-6-15)19(30)24-14(11-29)8-9-28/h2-7,14,28-29H,8-11H2,1H3,(H,24,30)(H4,21,22,25,26)
InChIKey
CPSWDZRAUFDFES-UHFFFAOYSA-N
Compound name
4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]-N-(1,4-dihydroxybutan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.20187 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.20915 196.4
[M+Na]+ 434.19109 200.3
[M-H]- 410.19459 198.1
[M+NH4]+ 429.23569 201.2
[M+K]+ 450.16503 196.3
[M+H-H2O]+ 394.19913 185.4
[M+HCOO]- 456.20007 213.6
[M+CH3COO]- 470.21572 236.1
[M+Na-2H]- 432.17654 199.3
[M]+ 411.20132 194.8
[M]- 411.20242 194.8
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.