CID 3039014

42055-66-3

Structural Information

Molecular Formula
C19H24N4O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)N3CCCC3)CC(=O)NO
InChI
InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)18(14)28-3)19-20-13(11-17(24)22-25)10-16(21-19)23-6-4-5-7-23/h8-10,25H,4-7,11H2,1-3H3,(H,22,24)
InChIKey
VMAVXXVEYJWSQU-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[6-pyrrolidin-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

388.17468 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18196 190.4
[M+Na]+ 411.16390 196.2
[M-H]- 387.16740 195.4
[M+NH4]+ 406.20850 198.3
[M+K]+ 427.13784 193.0
[M+H-H2O]+ 371.17194 179.6
[M+HCOO]- 433.17288 207.9
[M+CH3COO]- 447.18853 220.2
[M+Na-2H]- 409.14935 189.6
[M]+ 388.17413 193.1
[M]- 388.17523 193.1
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.