CID 3066957

1-(m-nitrophenyl)-4-(2,4,4-trimethylallophanoyl)piperazine

Structural Information

Molecular Formula
C15H21N5O4
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H21N5O4/c1-16(2)14(21)17(3)15(22)19-9-7-18(8-10-19)12-5-4-6-13(11-12)20(23)24/h4-6,11H,7-10H2,1-3H3
InChIKey
SMVXAOVXYIQSFJ-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-N-methyl-4-(3-nitrophenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.15936 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16664 172.5
[M+Na]+ 358.14858 181.4
[M+NH4]+ 353.19318 177.3
[M+K]+ 374.12252 181.2
[M-H]- 334.15208 175.9
[M+Na-2H]- 356.13403 177.1
[M]+ 335.15881 174.1
[M]- 335.15991 174.1
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