CID 24212864

853333-68-3

Structural Information

Molecular Formula
C22H22ClNO3
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)OC)Cl
InChI
InChI=1S/C22H22ClNO3/c1-3-4-5-15-6-9-17(10-7-15)24-22(25)21-13-12-19(27-21)16-8-11-20(26-2)18(23)14-16/h6-14H,3-5H2,1-2H3,(H,24,25)
InChIKey
PERQYABDOQJNAM-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-5-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1288 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13608 194.4
[M+Na]+ 406.11802 202.2
[M-H]- 382.12152 205.1
[M+NH4]+ 401.16262 207.3
[M+K]+ 422.09196 197.1
[M+H-H2O]+ 366.12606 186.2
[M+HCOO]- 428.12700 213.4
[M+CH3COO]- 442.14265 220.4
[M+Na-2H]- 404.10347 194.4
[M]+ 383.12825 201.2
[M]- 383.12935 201.2
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.