CID 24212795

853331-16-5

Structural Information

Molecular Formula
C18H20BrNO2
SMILES
C1CCC(C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H20BrNO2/c19-14-7-5-13(6-8-14)17-11-9-16(22-17)10-12-18(21)20-15-3-1-2-4-15/h5-9,11,15H,1-4,10,12H2,(H,20,21)
InChIKey
GHNILMDNZJFCHR-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-cyclopentylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.06775 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07503 185.0
[M+Na]+ 384.05697 192.8
[M-H]- 360.06047 197.1
[M+NH4]+ 379.10157 202.8
[M+K]+ 400.03091 182.2
[M+H-H2O]+ 344.06501 183.8
[M+HCOO]- 406.06595 205.2
[M+CH3COO]- 420.08160 209.7
[M+Na-2H]- 382.04242 185.2
[M]+ 361.06720 202.3
[M]- 361.06830 202.3
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.