CID 9604766

[(e)-[(4-chlorophenyl)-(3-methylbenzofuran-2-yl)methylene]amino] acetate

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
CC1=C(OC2=CC=CC=C12)/C(=N/OC(=O)C)/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14ClNO3/c1-11-15-5-3-4-6-16(15)22-18(11)17(20-23-12(2)21)13-7-9-14(19)10-8-13/h3-10H,1-2H3/b20-17+
InChIKey
BCWUTANNOGCOLS-LVZFUZTISA-N
Compound name
[(E)-[(4-chlorophenyl)-(3-methyl-1-benzofuran-2-yl)methylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.06622 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07350 175.7
[M+Na]+ 350.05544 186.0
[M-H]- 326.05894 186.2
[M+NH4]+ 345.10004 192.7
[M+K]+ 366.02938 182.2
[M+H-H2O]+ 310.06348 168.8
[M+HCOO]- 372.06442 196.7
[M+CH3COO]- 386.08007 210.8
[M+Na-2H]- 348.04089 179.4
[M]+ 327.06567 184.0
[M]- 327.06677 184.0
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.