CID 19704259

Dtxsid90746046

Structural Information

Molecular Formula
C15H28BrN3O4
SMILES
CC1(CC(C(N1O)(C)C)C(=O)NCCOCCNC(=O)CBr)C
InChI
InChI=1S/C15H28BrN3O4/c1-14(2)9-11(15(3,4)19(14)22)13(21)18-6-8-23-7-5-17-12(20)10-16/h11,22H,5-10H2,1-4H3,(H,17,20)(H,18,21)
InChIKey
KUWMMCNUXKITGT-UHFFFAOYSA-N
Compound name
N-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethyl]-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1263 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13358 178.2
[M+Na]+ 416.11552 185.8
[M-H]- 392.11902 181.0
[M+NH4]+ 411.16012 196.4
[M+K]+ 432.08946 175.0
[M+H-H2O]+ 376.12356 178.1
[M+HCOO]- 438.12450 194.5
[M+CH3COO]- 452.14015 218.0
[M+Na-2H]- 414.10097 179.9
[M]+ 393.12575 198.3
[M]- 393.12685 198.3
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.