CID 24212552

853312-39-7

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
CN(C)CCNC(=O)CCC1=CC=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H21ClN2O2/c1-20(2)12-11-19-17(21)10-8-15-7-9-16(22-15)13-3-5-14(18)6-4-13/h3-7,9H,8,10-12H2,1-2H3,(H,19,21)
InChIKey
MZEXXVGTSOZSMO-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-N-[2-(dimethylamino)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12915 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 179.7
[M+Na]+ 343.11837 186.0
[M-H]- 319.12187 188.1
[M+NH4]+ 338.16297 195.4
[M+K]+ 359.09231 182.7
[M+H-H2O]+ 303.12641 172.2
[M+HCOO]- 365.12735 200.4
[M+CH3COO]- 379.14300 213.5
[M+Na-2H]- 341.10382 181.1
[M]+ 320.12860 185.5
[M]- 320.12970 185.5
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.