CID 215430

35689-01-1

Structural Information

Molecular Formula
C16H19BrN2O3
SMILES
CC1=C(OC2=CC(=C(C=C12)Br)OC)C(=O)N3CCN(CC3)C
InChI
InChI=1S/C16H19BrN2O3/c1-10-11-8-12(17)14(21-3)9-13(11)22-15(10)16(20)19-6-4-18(2)5-7-19/h8-9H,4-7H2,1-3H3
InChIKey
ZLZBVRQVCNXNPJ-UHFFFAOYSA-N
Compound name
(5-bromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.05792 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.06520 178.6
[M+Na]+ 389.04714 190.5
[M-H]- 365.05064 187.1
[M+NH4]+ 384.09174 194.4
[M+K]+ 405.02108 180.6
[M+H-H2O]+ 349.05518 177.1
[M+HCOO]- 411.05612 194.0
[M+CH3COO]- 425.07177 211.6
[M+Na-2H]- 387.03259 180.6
[M]+ 366.05737 200.0
[M]- 366.05847 200.0
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.