CID 9652058

(4-(2-((2,3-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C17H13Cl2N3O5
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C17H13Cl2N3O5/c18-12-2-1-3-13(15(12)19)21-16(25)17(26)22-20-8-10-4-6-11(7-5-10)27-9-14(23)24/h1-8H,9H2,(H,21,25)(H,22,26)(H,23,24)/b20-8+
InChIKey
DEHMAIXANGNKBZ-DNTJNYDQSA-N
Compound name
2-[4-[(E)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.02322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.03050 188.6
[M+Na]+ 432.01244 195.2
[M-H]- 408.01594 195.0
[M+NH4]+ 427.05704 199.5
[M+K]+ 447.98638 190.5
[M+H-H2O]+ 392.02048 181.8
[M+HCOO]- 454.02142 204.6
[M+CH3COO]- 468.03707 225.1
[M+Na-2H]- 429.99789 189.9
[M]+ 409.02267 194.0
[M]- 409.02377 194.0
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.