CID 135821441

2(2,3-di-cl-phenoxy)n'-((2-oxo-1,2-dihydro-3-quinolinyl)methylene)acetohydrazide

Structural Information

Molecular Formula
C18H13Cl2N3O3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C18H13Cl2N3O3/c19-13-5-3-7-15(17(13)20)26-10-16(24)23-21-9-12-8-11-4-1-2-6-14(11)22-18(12)25/h1-9H,10H2,(H,22,25)(H,23,24)/b21-9+
InChIKey
AHXYWPREPILQAH-ZVBGSRNCSA-N
Compound name
2-(2,3-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0334 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.04068 184.8
[M+Na]+ 412.02262 194.4
[M-H]- 388.02612 190.6
[M+NH4]+ 407.06722 196.8
[M+K]+ 427.99656 187.0
[M+H-H2O]+ 372.03066 176.8
[M+HCOO]- 434.03160 198.8
[M+CH3COO]- 448.04725 220.4
[M+Na-2H]- 410.00807 189.8
[M]+ 389.03285 190.0
[M]- 389.03395 190.0
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.