CID 13734023

30806-86-1

Structural Information

Molecular Formula
C14H16N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N=C2N)N
InChI
InChI=1S/C14H16N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6H,1-3H3,(H4,15,16,17,18)
InChIKey
GAAPPIKAFNZRLA-UHFFFAOYSA-N
Compound name
(2,4-diaminopyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.11716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 169.7
[M+Na]+ 327.10638 181.6
[M+NH4]+ 322.15098 174.5
[M+K]+ 343.08032 177.6
[M-H]- 303.10988 172.1
[M+Na-2H]- 325.09183 175.3
[M]+ 304.11661 171.7
[M]- 304.11771 171.7
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