CID 3039016

42055-68-5

Structural Information

Molecular Formula
C20H26N4O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)N3CCCCC3)CC(=O)NO
InChI
InChI=1S/C20H26N4O5/c1-27-15-9-13(10-16(28-2)19(15)29-3)20-21-14(12-18(25)23-26)11-17(22-20)24-7-5-4-6-8-24/h9-11,26H,4-8,12H2,1-3H3,(H,23,25)
InChIKey
CDLVHMVKHLQDHH-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[6-piperidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1903 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.19758 196.5
[M+Na]+ 425.17952 201.0
[M-H]- 401.18302 200.4
[M+NH4]+ 420.22412 201.7
[M+K]+ 441.15346 197.5
[M+H-H2O]+ 385.18756 184.5
[M+HCOO]- 447.18850 211.2
[M+CH3COO]- 461.20415 223.9
[M+Na-2H]- 423.16497 196.7
[M]+ 402.18975 197.2
[M]- 402.19085 197.2
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.