CID 24212785

853330-88-8

Structural Information

Molecular Formula
C20H17BrClNO2
SMILES
CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C20H17BrClNO2/c1-13-2-7-16(12-18(13)22)23-20(24)11-9-17-8-10-19(25-17)14-3-5-15(21)6-4-14/h2-8,10,12H,9,11H2,1H3,(H,23,24)
InChIKey
HBZYOFIDYKKQIQ-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(3-chloro-4-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.01312 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.02040 194.5
[M+Na]+ 440.00234 206.0
[M-H]- 416.00584 207.3
[M+NH4]+ 435.04694 209.9
[M+K]+ 455.97628 192.7
[M+H-H2O]+ 400.01038 192.9
[M+HCOO]- 462.01132 211.4
[M+CH3COO]- 476.02697 220.1
[M+Na-2H]- 437.98779 196.1
[M]+ 417.01257 217.3
[M]- 417.01367 217.3
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.