CID 3066956

80712-33-0

Structural Information

Molecular Formula
C15H22N4O3
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H22N4O3/c1-16(2)14(21)17(3)15(22)19-10-8-18(9-11-19)12-4-6-13(20)7-5-12/h4-7,20H,8-11H2,1-3H3
InChIKey
LRZJGQOJSXATEJ-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-4-(4-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]+ 307.176476 172.2
[M+Na]+ 329.158418 175.3
[M-H]- 305.161924 176.9
[M+NH4]+ 324.203023 183.9
[M+K]+ 345.132358 175.1
[M+H-H2O]+ 289.166460 162.5
[M+HCOO]- 351.167401 189.9
[M+CH3COO]- 365.183051 211.9
[M+Na-2H]- 327.143866 172.4
[M]+ 306.16865142 169.8
[M]- 306.16974858 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.