CID 3066967

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

Structural Information

Molecular Formula
C17H26N4O4
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C17H26N4O4/c1-18(2)16(22)19(3)17(23)21-10-8-20(9-11-21)13-6-7-14(24-4)15(12-13)25-5/h6-7,12H,8-11H2,1-5H3
InChIKey
DPKYLIBJQSHNTH-UHFFFAOYSA-N
Compound name
4-(3,4-dimethoxyphenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.1954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20268 183.1
[M+Na]+ 373.18462 186.6
[M-H]- 349.18812 189.2
[M+NH4]+ 368.22922 194.0
[M+K]+ 389.15856 187.4
[M+H-H2O]+ 333.19266 172.9
[M+HCOO]- 395.19360 201.9
[M+CH3COO]- 409.20925 223.7
[M+Na-2H]- 371.17007 182.3
[M]+ 350.19485 185.1
[M]- 350.19595 185.1
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

patents stripe