CID 9776926

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

Structural Information

Molecular Formula
C18H17N3O5
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C18H17N3O5/c1-12-2-6-14(7-3-12)20-17(24)18(25)21-19-10-13-4-8-15(9-5-13)26-11-16(22)23/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23)/b19-10+
InChIKey
OWEFNSKDVHFXIB-VXLYETTFSA-N
Compound name
2-[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.11682 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12410 181.1
[M+Na]+ 378.10604 185.0
[M-H]- 354.10954 187.6
[M+NH4]+ 373.15064 192.2
[M+K]+ 394.07998 182.9
[M+H-H2O]+ 338.11408 171.6
[M+HCOO]- 400.11502 205.9
[M+CH3COO]- 414.13067 219.3
[M+Na-2H]- 376.09149 183.5
[M]+ 355.11627 182.2
[M]- 355.11737 182.2
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.