CID 3066965

1-piperazinecarboxamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-n-((dimethylamino)carbonyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C16H20ClF3N4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C16H20ClF3N4O2/c1-21(2)14(25)22(3)15(26)24-8-6-23(7-9-24)11-4-5-13(17)12(10-11)16(18,19)20/h4-5,10H,6-9H2,1-3H3
InChIKey
ZUOBIFABXYECPN-UHFFFAOYSA-N
Compound name
4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.12268 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12996 186.5
[M+Na]+ 415.11190 192.2
[M-H]- 391.11540 188.8
[M+NH4]+ 410.15650 196.7
[M+K]+ 431.08584 189.3
[M+H-H2O]+ 375.11994 175.2
[M+HCOO]- 437.12088 196.0
[M+CH3COO]- 451.13653 227.5
[M+Na-2H]- 413.09735 184.8
[M]+ 392.12213 183.8
[M]- 392.12323 183.8
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

patents stripe