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

24
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

literature stripe

Patent stripe

patents stripe