CID 6524761

Brn 1822705

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
CCCOC(=O)/C(=N\NC1=CC(=CC=C1)Cl)/C#N
InChI
InChI=1S/C12H12ClN3O2/c1-2-6-18-12(17)11(8-14)16-15-10-5-3-4-9(13)7-10/h3-5,7,15H,2,6H2,1H3/b16-11-
InChIKey
AVIBUPYFSVZEFK-WJDWOHSUSA-N
Compound name
propyl (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 161.8
[M+Na]+ 288.05102 170.4
[M-H]- 264.05452 165.7
[M+NH4]+ 283.09562 177.3
[M+K]+ 304.02496 166.6
[M+H-H2O]+ 248.05906 148.9
[M+HCOO]- 310.06000 179.6
[M+CH3COO]- 324.07565 211.7
[M+Na-2H]- 286.03647 165.0
[M]+ 265.06125 160.0
[M]- 265.06235 160.0
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.