CID 3044726

4-pyrimidineacetamide, 2-(1,3-benzodioxol-5-yl)-n-hydroxy-6-((4-(4-morpholinylcarbonyl)phenyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C24H23N5O6
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=C3)CC(=O)NO)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C24H23N5O6/c30-22(28-32)13-18-12-21(27-23(26-18)16-3-6-19-20(11-16)35-14-34-19)25-17-4-1-15(2-5-17)24(31)29-7-9-33-10-8-29/h1-6,11-12,32H,7-10,13-14H2,(H,28,30)(H,25,26,27)
InChIKey
PYGZZUNWTNNBGI-UHFFFAOYSA-N
Compound name
2-[2-(1,3-benzodioxol-5-yl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.16483 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.17211 210.0
[M+Na]+ 500.15405 212.5
[M-H]- 476.15755 219.6
[M+NH4]+ 495.19865 209.3
[M+K]+ 516.12799 211.4
[M+H-H2O]+ 460.16209 197.7
[M+HCOO]- 522.16303 221.0
[M+CH3COO]- 536.17868 215.7
[M+Na-2H]- 498.13950 211.0
[M]+ 477.16428 208.6
[M]- 477.16538 208.6
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.