CID 90972518

Dtxsid90893842

Structural Information

Molecular Formula
C18H17N3O5
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C18H17N3O5/c1-11(22)16(17(23)19-14-9-5-6-10-15(14)26-2)21-20-13-8-4-3-7-12(13)18(24)25/h3-10,16H,1-2H3,(H,19,23)(H,24,25)
InChIKey
RDCAJFZYOSLJBZ-UHFFFAOYSA-N
Compound name
2-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

355.11682 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12410 180.9
[M+Na]+ 378.10604 184.7
[M-H]- 354.10954 188.7
[M+NH4]+ 373.15064 192.4
[M+K]+ 394.07998 184.0
[M+H-H2O]+ 338.11408 171.2
[M+HCOO]- 400.11502 206.1
[M+CH3COO]- 414.13067 223.8
[M+Na-2H]- 376.09149 182.6
[M]+ 355.11627 183.4
[M]- 355.11737 183.4
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

patents stripe