CID 44362947

29606-06-2

Structural Information

Molecular Formula
C14H18N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(C2=CN=C(N=C2N)N)O
InChI
InChI=1S/C14H18N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6,11,19H,1-3H3,(H4,15,16,17,18)
InChIKey
ZQRSRBQVQNNQKD-UHFFFAOYSA-N
Compound name
(2,4-diaminopyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

306.1328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14008 171.1
[M+Na]+ 329.12202 182.3
[M+NH4]+ 324.16662 175.8
[M+K]+ 345.09596 178.7
[M-H]- 305.12552 173.2
[M+Na-2H]- 327.10747 176.2
[M]+ 306.13225 172.9
[M]- 306.13335 172.9
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.