CID 5279270

Nbd-557

Structural Information

Molecular Formula
C17H24BrN3O2
SMILES
CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NC2=CC=C(C=C2)Br)C
InChI
InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKey
QQRFLGRIDNNARB-UHFFFAOYSA-N
Compound name
N'-(4-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

22
Patents

381.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.11248 178.1
[M+Na]+ 404.09442 185.6
[M-H]- 380.09792 184.0
[M+NH4]+ 399.13902 195.0
[M+K]+ 420.06836 173.6
[M+H-H2O]+ 364.10246 177.1
[M+HCOO]- 426.10340 193.0
[M+CH3COO]- 440.11905 215.5
[M+Na-2H]- 402.07987 181.4
[M]+ 381.10465 192.3
[M]- 381.10575 192.3
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.