CID 51060710

(4-(2-(anilino(oxo)acetyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C17H15N3O5
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C17H15N3O5/c21-15(22)11-25-14-8-6-12(7-9-14)10-18-20-17(24)16(23)19-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,23)(H,20,24)(H,21,22)/b18-10+
InChIKey
HIKKSONISCMHFR-VCHYOVAHSA-N
Compound name
2-[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.10117 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10845 176.2
[M+Na]+ 364.09039 179.6
[M-H]- 340.09389 182.5
[M+NH4]+ 359.13499 187.6
[M+K]+ 380.06433 177.7
[M+H-H2O]+ 324.09843 166.7
[M+HCOO]- 386.09937 201.4
[M+CH3COO]- 400.11502 215.0
[M+Na-2H]- 362.07584 179.9
[M]+ 341.10062 176.6
[M]- 341.10172 176.6
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.