CID 3066955

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

Structural Information

Molecular Formula
C15H22N4O3
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H22N4O3/c1-16(2)14(21)17(3)15(22)19-9-7-18(8-10-19)12-5-4-6-13(20)11-12/h4-6,11,20H,7-10H2,1-3H3
InChIKey
XWYWUWNAWYJGOA-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-4-(3-hydroxyphenyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1692 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.17648 172.2
[M+Na]+ 329.15842 175.3
[M-H]- 305.16192 176.9
[M+NH4]+ 324.20302 183.9
[M+K]+ 345.13236 175.1
[M+H-H2O]+ 289.16646 162.5
[M+HCOO]- 351.16740 189.9
[M+CH3COO]- 365.18305 211.9
[M+Na-2H]- 327.14387 172.4
[M]+ 306.16865 169.8
[M]- 306.16975 169.8
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.