CID 129497

107188-66-9

Structural Information

Molecular Formula
C16H23BrN2O3
SMILES
CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2)Br)OC)OC
InChI
InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)
InChIKey
QAECXZXKVURFMR-UHFFFAOYSA-N
Compound name
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

108
References

24
Patents

370.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09648 180.8
[M+Na]+ 393.07842 189.7
[M-H]- 369.08192 188.3
[M+NH4]+ 388.12302 197.3
[M+K]+ 409.05236 178.6
[M+H-H2O]+ 353.08646 178.4
[M+HCOO]- 415.08740 199.3
[M+CH3COO]- 429.10305 214.6
[M+Na-2H]- 391.06387 180.9
[M]+ 370.08865 201.0
[M]- 370.08975 201.0
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

patents stripe