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]+ 344.112876 176.7
[M+Na]+ 366.094818 182.2
[M-H]- 342.098324 182.2
[M+NH4]+ 361.139423 188.4
[M+K]+ 382.068758 180.4
[M+H-H2O]+ 326.102860 168.2
[M+HCOO]- 388.103801 197.9
[M+CH3COO]- 402.119451 212.5
[M+Na-2H]- 364.080266 177.1
[M]+ 343.10505142 180.3
[M]- 343.10614858 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.