CID 3066962

1-piperazinecarboxamide, 4-(3-chloro-4-hydroxyphenyl)-n-((dimethylamino)carbonyl)-n-methyl-

Structural Information

Molecular Formula
C15H21ClN4O3
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C15H21ClN4O3/c1-17(2)14(22)18(3)15(23)20-8-6-19(7-9-20)11-4-5-13(21)12(16)10-11/h4-5,10,21H,6-9H2,1-3H3
InChIKey
FWBGWXLLGUYXQL-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-hydroxyphenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13022 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.137496 177.6
[M+Na]+ 363.119438 182.5
[M-H]- 339.122944 182.6
[M+NH4]+ 358.164043 189.2
[M+K]+ 379.093378 180.6
[M+H-H2O]+ 323.127480 169.0
[M+HCOO]- 385.128421 190.9
[M+CH3COO]- 399.144071 216.8
[M+Na-2H]- 361.104886 176.8
[M]+ 340.12967142 177.9
[M]- 340.13076858 177.9
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.