CID 461737

178869-96-0

Structural Information

Molecular Formula
C18H21NO5
SMILES
CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2)OC)CC(=O)OC(C)C
InChI
InChI=1S/C18H21NO5/c1-11(2)24-17(20)10-13-9-14(5-6-16(13)22-4)19-18(21)15-7-8-23-12(15)3/h5-9,11H,10H2,1-4H3,(H,19,21)
InChIKey
YYPRSVLJYFVQJX-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-methoxy-5-[(2-methylfuran-3-carbonyl)amino]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.14197 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14925 178.8
[M+Na]+ 354.13119 184.8
[M-H]- 330.13469 186.5
[M+NH4]+ 349.17579 192.7
[M+K]+ 370.10513 184.5
[M+H-H2O]+ 314.13923 171.3
[M+HCOO]- 376.14017 201.1
[M+CH3COO]- 390.15582 212.6
[M+Na-2H]- 352.11664 178.0
[M]+ 331.14142 184.8
[M]- 331.14252 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.