CID 479090

2,4-diamino-5-[3,5-dimethoxy-4-(2-hydroxyprop-2-yl)benzyl]pyrimdine

Structural Information

Molecular Formula
C16H22N4O4
SMILES
CC(C)(O)OC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C16H22N4O4/c1-16(2,21)24-13-11(22-3)6-9(7-12(13)23-4)5-10-8-19-15(18)20-14(10)17/h6-8,21H,5H2,1-4H3,(H4,17,18,19,20)
InChIKey
YJQTUHWPTUVSIZ-UHFFFAOYSA-N
Compound name
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1641 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17138 180.9
[M+Na]+ 357.15332 188.8
[M-H]- 333.15682 183.7
[M+NH4]+ 352.19792 190.7
[M+K]+ 373.12726 185.7
[M+H-H2O]+ 317.16136 171.7
[M+HCOO]- 379.16230 200.2
[M+CH3COO]- 393.17795 215.2
[M+Na-2H]- 355.13877 183.8
[M]+ 334.16355 183.5
[M]- 334.16465 183.5
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.