CID 3066949

1-(p-bromophenyl)-4-(2,4,4-trimethylallophanoyl)piperazine

Structural Information

Molecular Formula
C15H21BrN4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H21BrN4O2/c1-17(2)14(21)18(3)15(22)20-10-8-19(9-11-20)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3
InChIKey
FNAPXYOZMGHDOX-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.08478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09206 176.2
[M+Na]+ 391.07400 182.6
[M-H]- 367.07750 184.2
[M+NH4]+ 386.11860 190.0
[M+K]+ 407.04794 173.4
[M+H-H2O]+ 351.08204 172.2
[M+HCOO]- 413.08298 192.8
[M+CH3COO]- 427.09863 219.9
[M+Na-2H]- 389.05945 177.9
[M]+ 368.08423 192.8
[M]- 368.08533 192.8
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