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]+ 341.13750 177.6
[M+Na]+ 363.11944 182.5
[M-H]- 339.12294 182.6
[M+NH4]+ 358.16404 189.2
[M+K]+ 379.09338 180.6
[M+H-H2O]+ 323.12748 169.0
[M+HCOO]- 385.12842 190.9
[M+CH3COO]- 399.14407 216.8
[M+Na-2H]- 361.10489 176.8
[M]+ 340.12967 177.9
[M]- 340.13077 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.