CID 9574228

Niazid 2,6dicl4

Structural Information

Molecular Formula
C14H11Cl2N3O2
SMILES
COC1=CC(=C(C(=C1)Cl)/C=N/NC(=O)C2=CN=CC=C2)Cl
InChI
InChI=1S/C14H11Cl2N3O2/c1-21-10-5-12(15)11(13(16)6-10)8-18-19-14(20)9-3-2-4-17-7-9/h2-8H,1H3,(H,19,20)/b18-8+
InChIKey
GHKGJOYSQHAQJI-QGMBQPNBSA-N
Compound name
N-[(E)-(2,6-dichloro-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.02283 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03011 170.0
[M+Na]+ 346.01205 179.4
[M-H]- 322.01555 176.3
[M+NH4]+ 341.05665 184.4
[M+K]+ 361.98599 173.7
[M+H-H2O]+ 306.02009 162.3
[M+HCOO]- 368.02103 186.6
[M+CH3COO]- 382.03668 210.4
[M+Na-2H]- 343.99750 174.6
[M]+ 323.02228 175.3
[M]- 323.02338 175.3
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.