CID 3066952

1-piperazinecarboxamide, n-((dimethylamino)carbonyl)-n-methyl-4-(4-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C16H21F3N4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C16H21F3N4O2/c1-20(2)14(24)21(3)15(25)23-10-8-22(9-11-23)13-6-4-12(5-7-13)16(17,18)19/h4-7H,8-11H2,1-3H3
InChIKey
DUMHSAYXPWIEAH-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-N-methyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.16165 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16893 181.7
[M+Na]+ 381.15087 185.8
[M-H]- 357.15437 183.8
[M+NH4]+ 376.19547 192.1
[M+K]+ 397.12481 184.5
[M+H-H2O]+ 341.15891 169.6
[M+HCOO]- 403.15985 195.7
[M+CH3COO]- 417.17550 222.8
[M+Na-2H]- 379.13632 181.0
[M]+ 358.16110 176.2
[M]- 358.16220 176.2
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.