CID 394464

Nsc697937

Structural Information

Molecular Formula
C18H19NO4
SMILES
COC(=O)C1=CC=C(O1)N(CCCC=C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H19NO4/c1-3-4-8-13-19(17(20)14-9-6-5-7-10-14)16-12-11-15(23-16)18(21)22-2/h3,5-7,9-12H,1,4,8,13H2,2H3
InChIKey
VJVDSEIHGKGTMH-UHFFFAOYSA-N
Compound name
methyl 5-[benzoyl(pent-4-enyl)amino]furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 175.7
[M+Na]+ 336.12062 180.8
[M-H]- 312.12412 184.1
[M+NH4]+ 331.16522 190.5
[M+K]+ 352.09456 180.0
[M+H-H2O]+ 296.12866 167.7
[M+HCOO]- 358.12960 199.5
[M+CH3COO]- 372.14525 209.5
[M+Na-2H]- 334.10607 176.5
[M]+ 313.13085 180.7
[M]- 313.13195 180.7
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.