CID 24212788

853330-97-9

Structural Information

Molecular Formula
C21H20BrNO3
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H20BrNO3/c1-14-3-10-20(25-2)18(13-14)23-21(24)12-9-17-8-11-19(26-17)15-4-6-16(22)7-5-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24)
InChIKey
SVOREYYGVASFAW-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(2-methoxy-5-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.06265 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.06993 194.7
[M+Na]+ 436.05187 204.4
[M-H]- 412.05537 207.4
[M+NH4]+ 431.09647 209.1
[M+K]+ 452.02581 193.4
[M+H-H2O]+ 396.05991 192.1
[M+HCOO]- 458.06085 215.8
[M+CH3COO]- 472.07650 221.5
[M+Na-2H]- 434.03732 196.3
[M]+ 413.06210 216.8
[M]- 413.06320 216.8
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.