CID 45051038

853348-31-9

Structural Information

Molecular Formula
C21H18ClNO2
SMILES
CC1=CC(=C(C=C1)C)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H18ClNO2/c1-14-7-8-15(2)19(13-14)23-21(24)12-10-16-9-11-20(25-16)17-5-3-4-6-18(17)22/h3-13H,1-2H3,(H,23,24)/b12-10+
InChIKey
YRSBLBYLOYPFGI-ZRDIBKRKSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2,5-dimethylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1026 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.109876 186.5
[M+Na]+ 374.091818 195.3
[M-H]- 350.095324 197.3
[M+NH4]+ 369.136423 200.7
[M+K]+ 390.065758 189.0
[M+H-H2O]+ 334.099860 178.7
[M+HCOO]- 396.100801 205.8
[M+CH3COO]- 410.116451 214.0
[M+Na-2H]- 372.077266 186.8
[M]+ 351.10205142 190.7
[M]- 351.10314858 190.7
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.