CID 9555924

Nsc655511

Structural Information

Molecular Formula
C14H11Cl2N3O
SMILES
CO/C(=N\N=C\C1=C(C=C(C=C1)Cl)Cl)/C2=CC=NC=C2
InChI
InChI=1S/C14H11Cl2N3O/c1-20-14(10-4-6-17-7-5-10)19-18-9-11-2-3-12(15)8-13(11)16/h2-9H,1H3/b18-9+,19-14-
InChIKey
RKNUAIKYGSXBOM-UPVQPNEJSA-N
Compound name
methyl (NE,4Z)-N-[(2,4-dichlorophenyl)methylidene]pyridine-4-carbohydrazonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.02792 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03520 167.8
[M+Na]+ 330.01714 177.0
[M-H]- 306.02064 175.0
[M+NH4]+ 325.06174 183.4
[M+K]+ 345.99108 171.3
[M+H-H2O]+ 290.02518 159.6
[M+HCOO]- 352.02612 185.6
[M+CH3COO]- 366.04177 209.0
[M+Na-2H]- 328.00259 173.5
[M]+ 307.02737 173.1
[M]- 307.02847 173.1
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.