CID 3044724

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

Structural Information

Molecular Formula
C20H17N5O5
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NC(=CC(=N3)NC4=CC=CC=C4C(=O)N)CC(=O)NO
InChI
InChI=1S/C20H17N5O5/c21-19(27)13-3-1-2-4-14(13)23-17-8-12(9-18(26)25-28)22-20(24-17)11-5-6-15-16(7-11)30-10-29-15/h1-8,28H,9-10H2,(H2,21,27)(H,25,26)(H,22,23,24)
InChIKey
GLIYXIQIHIZAHK-UHFFFAOYSA-N
Compound name
2-[[2-(1,3-benzodioxol-5-yl)-6-[2-(hydroxyamino)-2-oxoethyl]pyrimidin-4-yl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.12296 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.13024 193.3
[M+Na]+ 430.11218 198.6
[M-H]- 406.11568 201.6
[M+NH4]+ 425.15678 198.6
[M+K]+ 446.08612 196.5
[M+H-H2O]+ 390.12022 182.8
[M+HCOO]- 452.12116 211.6
[M+CH3COO]- 466.13681 201.6
[M+Na-2H]- 428.09763 196.8
[M]+ 407.12241 193.6
[M]- 407.12351 193.6
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.