CID 54588

80592-85-4

Structural Information

Molecular Formula
C19H20ClNO
SMILES
CCN(CC)CC1=C(C2=C(O1)C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H20ClNO/c1-3-21(4-2)13-18-19(14-8-6-5-7-9-14)16-12-15(20)10-11-17(16)22-18/h5-12H,3-4,13H2,1-2H3
InChIKey
MTCGLSWFDICWRN-UHFFFAOYSA-N
Compound name
N-[(5-chloro-3-phenyl-1-benzofuran-2-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12335 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13063 176.1
[M+Na]+ 336.11257 185.9
[M-H]- 312.11607 186.0
[M+NH4]+ 331.15717 193.9
[M+K]+ 352.08651 181.0
[M+H-H2O]+ 296.12061 168.9
[M+HCOO]- 358.12155 196.8
[M+CH3COO]- 372.13720 189.0
[M+Na-2H]- 334.09802 180.1
[M]+ 313.12280 183.9
[M]- 313.12390 183.9
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.