CID 79977

5867-18-5

Structural Information

Molecular Formula
C18H17NO6
SMILES
COC1=CC=C(C=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)O)OC
InChI
InChI=1S/C18H17NO6/c1-24-13-6-3-11(4-7-13)15(20)10-17(21)19-14-9-12(18(22)23)5-8-16(14)25-2/h3-9H,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKey
ODEIFSHWKMXEGJ-UHFFFAOYSA-N
Compound name
4-methoxy-3-[[3-(4-methoxyphenyl)-3-oxopropanoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.1056 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11288 176.7
[M+Na]+ 366.09482 182.2
[M-H]- 342.09832 182.2
[M+NH4]+ 361.13942 188.4
[M+K]+ 382.06876 180.4
[M+H-H2O]+ 326.10286 168.2
[M+HCOO]- 388.10380 197.9
[M+CH3COO]- 402.11945 212.5
[M+Na-2H]- 364.08027 177.1
[M]+ 343.10505 180.3
[M]- 343.10615 180.3
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.