CID 51764

73220-00-5

Structural Information

Molecular Formula
C16H22Br2N2O3
SMILES
CCN1CCC[C@@H]1CNC(=O)C2=C(C(=CC(=C2OC)Br)Br)OC
InChI
InChI=1S/C16H22Br2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)/t10-/m1/s1
InChIKey
JCBGKPTVKBFSNZ-SNVBAGLBSA-N
Compound name
3,5-dibromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

447.99973 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.00701 179.8
[M+Na]+ 470.98895 188.3
[M-H]- 446.99245 187.4
[M+NH4]+ 466.03355 194.4
[M+K]+ 486.96289 172.9
[M+H-H2O]+ 430.99699 185.4
[M+HCOO]- 492.99793 193.3
[M+CH3COO]- 507.01358 227.1
[M+Na-2H]- 468.97440 179.9
[M]+ 447.99918 215.0
[M]- 448.00028 215.0
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

No patent data available for this compound.