CID 3078986

Brn 3565517

Structural Information

Molecular Formula
C20H19NO4
SMILES
CC1=CC=C(C=C1)NC(C2C(=O)C=C(O2)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C20H19NO4/c1-13-8-10-15(11-9-13)21-18(20(23)24-2)19-16(22)12-17(25-19)14-6-4-3-5-7-14/h3-12,18-19,21H,1-2H3
InChIKey
XMFSLHIIMKEJDS-UHFFFAOYSA-N
Compound name
methyl 2-(4-methylanilino)-2-(3-oxo-5-phenylfuran-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 179.6
[M+Na]+ 360.12062 185.3
[M-H]- 336.12412 190.2
[M+NH4]+ 355.16522 192.7
[M+K]+ 376.09456 183.2
[M+H-H2O]+ 320.12866 171.2
[M+HCOO]- 382.12960 201.9
[M+CH3COO]- 396.14525 212.5
[M+Na-2H]- 358.10607 180.1
[M]+ 337.13085 181.6
[M]- 337.13195 181.6
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.