CID 91980801

Dtxsid20889031

Structural Information

Molecular Formula
C13H15Cl2N3O3
SMILES
COC(=O)N1CCCCC1=NNC2=CC(=C(C=C2Cl)Cl)O
InChI
InChI=1S/C13H15Cl2N3O3/c1-21-13(20)18-5-3-2-4-12(18)17-16-10-7-11(19)9(15)6-8(10)14/h6-7,16,19H,2-5H2,1H3
InChIKey
RTVNGPRGVCWVFE-UHFFFAOYSA-N
Compound name
methyl 2-[(2,4-dichloro-5-hydroxyphenyl)hydrazinylidene]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.04904 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.05632 172.1
[M+Na]+ 354.03826 179.4
[M-H]- 330.04176 176.7
[M+NH4]+ 349.08286 185.7
[M+K]+ 370.01220 174.4
[M+H-H2O]+ 314.04630 165.4
[M+HCOO]- 376.04724 183.7
[M+CH3COO]- 390.06289 209.0
[M+Na-2H]- 352.02371 173.4
[M]+ 331.04849 172.8
[M]- 331.04959 172.8
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.