CID 2818039

Maybridge4_001970

Structural Information

Molecular Formula
C21H21NO6
SMILES
CC(CCC1=CC(=C(C=C1)OC(=O)C2=CC=CO2)OC)NC(=O)C3=CC=CO3
InChI
InChI=1S/C21H21NO6/c1-14(22-20(23)17-5-3-11-26-17)7-8-15-9-10-16(19(13-15)25-2)28-21(24)18-6-4-12-27-18/h3-6,9-14H,7-8H2,1-2H3,(H,22,23)
InChIKey
DAJHWCFJZKGXPL-UHFFFAOYSA-N
Compound name
[4-[3-(furan-2-carbonylamino)butyl]-2-methoxyphenyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

383.1369 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 191.4
[M+Na]+ 406.12612 196.9
[M-H]- 382.12962 203.2
[M+NH4]+ 401.17072 202.9
[M+K]+ 422.10006 197.3
[M+H-H2O]+ 366.13416 183.9
[M+HCOO]- 428.13510 215.3
[M+CH3COO]- 442.15075 218.4
[M+Na-2H]- 404.11157 191.2
[M]+ 383.13635 199.7
[M]- 383.13745 199.7
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.