CID 3039017

42055-69-6

Structural Information

Molecular Formula
C21H28N4O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)N3CCCCCC3)CC(=O)NO
InChI
InChI=1S/C21H28N4O5/c1-28-16-10-14(11-17(29-2)20(16)30-3)21-22-15(13-19(26)24-27)12-18(23-21)25-8-6-4-5-7-9-25/h10-12,27H,4-9,13H2,1-3H3,(H,24,26)
InChIKey
ROYLSJONFLHCRR-UHFFFAOYSA-N
Compound name
2-[6-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.20596 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21324 201.6
[M+Na]+ 439.19518 210.6
[M+NH4]+ 434.23978 204.6
[M+K]+ 455.16912 207.0
[M-H]- 415.19868 203.8
[M+Na-2H]- 437.18063 206.0
[M]+ 416.20541 203.2
[M]- 416.20651 203.2
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.