CID 3044721

4-pyrimidineacetamide, n-hydroxy-6-((4-(4-morpholinylcarbonyl)phenyl)amino)-2-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C26H29N5O7
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)NC3=CC=C(C=C3)C(=O)N4CCOCC4)CC(=O)NO
InChI
InChI=1S/C26H29N5O7/c1-35-20-12-17(13-21(36-2)24(20)37-3)25-28-19(15-23(32)30-34)14-22(29-25)27-18-6-4-16(5-7-18)26(33)31-8-10-38-11-9-31/h4-7,12-14,34H,8-11,15H2,1-3H3,(H,30,32)(H,27,28,29)
InChIKey
RFTVJTVXZYPBSQ-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.2067 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.21398 224.6
[M+Na]+ 546.19592 226.9
[M-H]- 522.19942 232.2
[M+NH4]+ 541.24052 222.3
[M+K]+ 562.16986 225.0
[M+H-H2O]+ 506.20396 210.3
[M+HCOO]- 568.20490 237.8
[M+CH3COO]- 582.22055 249.3
[M+Na-2H]- 544.18137 224.3
[M]+ 523.20615 226.3
[M]- 523.20725 226.3
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.