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]+ 410.030496 188.6
[M+Na]+ 432.012438 195.2
[M-H]- 408.015944 195.0
[M+NH4]+ 427.057043 199.5
[M+K]+ 447.986378 190.5
[M+H-H2O]+ 392.020480 181.8
[M+HCOO]- 454.021421 204.6
[M+CH3COO]- 468.037071 225.1
[M+Na-2H]- 429.997886 189.9
[M]+ 409.02267142 194.0
[M]- 409.02376858 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.