CID 9693696

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

Structural Information

Molecular Formula
C19H19N3O5
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C19H19N3O5/c1-2-13-3-7-15(8-4-13)21-18(25)19(26)22-20-11-14-5-9-16(10-6-14)27-12-17(23)24/h3-11H,2,12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/b20-11+
InChIKey
DDNVXZIFMNDGGG-RGVLZGJSSA-N
Compound name
2-[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13248 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13976 187.0
[M+Na]+ 392.12170 195.4
[M+NH4]+ 387.16630 190.8
[M+K]+ 408.09564 190.9
[M-H]- 368.12520 189.5
[M+Na-2H]- 390.10715 192.2
[M]+ 369.13193 188.3
[M]- 369.13303 188.3
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.