CID 1567372

Propyl 4-[(1-benzofuran-2-ylcarbonyl)amino]benzoate

Structural Information

Molecular Formula
C19H17NO4
SMILES
CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C19H17NO4/c1-2-11-23-19(22)13-7-9-15(10-8-13)20-18(21)17-12-14-5-3-4-6-16(14)24-17/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKey
PCGBINMGZKYMOY-UHFFFAOYSA-N
Compound name
propyl 4-(1-benzofuran-2-carbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 175.2
[M+Na]+ 346.104968 182.6
[M-H]- 322.108474 184.0
[M+NH4]+ 341.149573 190.3
[M+K]+ 362.078908 180.2
[M+H-H2O]+ 306.113010 167.4
[M+HCOO]- 368.113951 199.1
[M+CH3COO]- 382.129601 208.7
[M+Na-2H]- 344.090416 179.4
[M]+ 323.11520142 180.5
[M]- 323.11629858 180.5
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.