CID 24212550

853312-35-3

Structural Information

Molecular Formula
C16H18ClNO2
SMILES
CC(C)NC(=O)CCC1=CC=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H18ClNO2/c1-11(2)18-16(19)10-8-14-7-9-15(20-14)12-3-5-13(17)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)
InChIKey
QYIQPMSISSMOLF-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-N-propan-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1026 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10988 170.1
[M+Na]+ 314.09182 177.4
[M-H]- 290.09532 177.5
[M+NH4]+ 309.13642 186.7
[M+K]+ 330.06576 173.5
[M+H-H2O]+ 274.09986 163.7
[M+HCOO]- 336.10080 188.7
[M+CH3COO]- 350.11645 203.1
[M+Na-2H]- 312.07727 171.3
[M]+ 291.10205 174.4
[M]- 291.10315 174.4
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.