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]+ 356.124096 180.9
[M+Na]+ 378.106038 184.7
[M-H]- 354.109544 188.7
[M+NH4]+ 373.150643 192.4
[M+K]+ 394.079978 184.0
[M+H-H2O]+ 338.114080 171.2
[M+HCOO]- 400.115021 206.1
[M+CH3COO]- 414.130671 223.8
[M+Na-2H]- 376.091486 182.6
[M]+ 355.11627142 183.4
[M]- 355.11736858 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