CID 3039010

4-pyrimidineacetamide, 2-(4-chlorophenyl)-6-(dipropylamino)-n-hydroxy-

Structural Information

Molecular Formula
C18H23ClN4O2
SMILES
CCCN(CCC)C1=NC(=NC(=C1)CC(=O)NO)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H23ClN4O2/c1-3-9-23(10-4-2)16-11-15(12-17(24)22-25)20-18(21-16)13-5-7-14(19)8-6-13/h5-8,11,25H,3-4,9-10,12H2,1-2H3,(H,22,24)
InChIKey
CYJJOAZMWADJES-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15094 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15822 186.5
[M+Na]+ 385.14016 192.6
[M-H]- 361.14366 190.2
[M+NH4]+ 380.18476 196.6
[M+K]+ 401.11410 187.3
[M+H-H2O]+ 345.14820 176.8
[M+HCOO]- 407.14914 202.9
[M+CH3COO]- 421.16479 220.7
[M+Na-2H]- 383.12561 188.5
[M]+ 362.15039 190.7
[M]- 362.15149 190.7
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.