CID 205570

18188-88-0

Structural Information

Molecular Formula
C17H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=CC2=O
InChI
InChI=1S/C17H17NO5/c1-21-14-9-11(10-15(22-2)16(14)23-3)17(20)18-12-7-5-4-6-8-13(12)19/h4-10H,1-3H3,(H,18,19,20)
InChIKey
HZSQZWNHTZCPLK-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(7-oxocyclohepta-1,3,5-trien-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11798 170.7
[M+Na]+ 338.09992 181.3
[M+NH4]+ 333.14452 175.9
[M+K]+ 354.07386 177.2
[M-H]- 314.10342 173.3
[M+Na-2H]- 336.08537 177.0
[M]+ 315.11015 172.8
[M]- 315.11125 172.8
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.