CID 3848058

Dtxsid701122555

Structural Information

Molecular Formula
C17H16ClN3O4
SMILES
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OC(=O)CCl
InChI
InChI=1S/C17H16ClN3O4/c1-2-24-15-8-12(5-6-14(15)25-16(22)9-18)10-20-21-17(23)13-4-3-7-19-11-13/h3-8,10-11H,2,9H2,1H3,(H,21,23)
InChIKey
MWPMNXXWWBOTOW-UHFFFAOYSA-N
Compound name
[2-ethoxy-4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.08295 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09023 181.3
[M+Na]+ 384.07217 187.9
[M-H]- 360.07567 187.8
[M+NH4]+ 379.11677 193.1
[M+K]+ 400.04611 184.0
[M+H-H2O]+ 344.08021 172.0
[M+HCOO]- 406.08115 201.8
[M+CH3COO]- 420.09680 217.7
[M+Na-2H]- 382.05762 185.1
[M]+ 361.08240 187.5
[M]- 361.08350 187.5
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.