CID 3047294

Brn 1494206

Structural Information

Molecular Formula
C19H20BrNO3
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H20BrNO3/c1-21-14-6-7-15(21)11-16(10-14)23-19(22)18-9-8-17(24-18)12-2-4-13(20)5-3-12/h2-5,8-9,14-16H,6-7,10-11H2,1H3
InChIKey
USVOORWQDXCZPD-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-(4-bromophenyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.06265 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06993 190.2
[M+Na]+ 412.05187 199.5
[M-H]- 388.05537 201.0
[M+NH4]+ 407.09647 207.8
[M+K]+ 428.02581 189.8
[M+H-H2O]+ 372.05991 189.9
[M+HCOO]- 434.06085 205.0
[M+CH3COO]- 448.07650 202.2
[M+Na-2H]- 410.03732 189.5
[M]+ 389.06210 209.0
[M]- 389.06320 209.0
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.