CID 24212776

853330-61-7

Structural Information

Molecular Formula
C21H20BrNO2
SMILES
CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br)C
InChI
InChI=1S/C21H20BrNO2/c1-14-3-10-19(15(2)13-14)23-21(24)12-9-18-8-11-20(25-18)16-4-6-17(22)7-5-16/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24)
InChIKey
BJHAOEKFVJUUHV-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(2,4-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.06775 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07503 192.1
[M+Na]+ 420.05697 202.1
[M-H]- 396.06047 204.9
[M+NH4]+ 415.10157 207.4
[M+K]+ 436.03091 190.5
[M+H-H2O]+ 380.06501 189.9
[M+HCOO]- 442.06595 213.2
[M+CH3COO]- 456.08160 219.6
[M+Na-2H]- 418.04242 193.7
[M]+ 397.06720 213.0
[M]- 397.06830 213.0
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.