CID 305103

3,4,5-trimethoxy-n-phenylbenzamide

Structural Information

Molecular Formula
C16H17NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H17NO4/c1-19-13-9-11(10-14(20-2)15(13)21-3)16(18)17-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,17,18)
InChIKey
PCAHHUDNCNWNIG-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

287.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 165.6
[M+Na]+ 310.10497 178.8
[M+NH4]+ 305.14957 172.7
[M+K]+ 326.07891 172.4
[M-H]- 286.10847 169.6
[M+Na-2H]- 308.09042 173.5
[M]+ 287.11520 168.5
[M]- 287.11630 168.5
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

patents stripe