CID 24212529

853311-63-4

Structural Information

Molecular Formula
C22H22ClNO2
SMILES
CC(C)C1=CC=CC=C1NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H22ClNO2/c1-15(2)19-5-3-4-6-20(19)24-22(25)14-12-18-11-13-21(26-18)16-7-9-17(23)10-8-16/h3-11,13,15H,12,14H2,1-2H3,(H,24,25)
InChIKey
NMKWHPUFKDWMBG-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2-propan-2-ylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1339 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14118 191.6
[M+Na]+ 390.12312 198.4
[M-H]- 366.12662 201.9
[M+NH4]+ 385.16772 204.8
[M+K]+ 406.09706 193.0
[M+H-H2O]+ 350.13116 183.6
[M+HCOO]- 412.13210 209.5
[M+CH3COO]- 426.14775 218.0
[M+Na-2H]- 388.10857 191.0
[M]+ 367.13335 196.0
[M]- 367.13445 196.0
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.