CID 154699952

Ns00117670

Structural Information

Molecular Formula
C9H9Cl2N3O3
SMILES
C1=C(C(=C(C(=C1O)Cl)CC(=O)N=C(N)N)Cl)O
InChI
InChI=1S/C9H9Cl2N3O3/c10-7-3(1-6(17)14-9(12)13)8(11)5(16)2-4(7)15/h2,15-16H,1H2,(H4,12,13,14,17)
InChIKey
SHBGZECCBYCTEJ-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-2-(2,6-dichloro-3,5-dihydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

277.0021 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.009376 157.5
[M+Na]+ 299.991318 166.7
[M-H]- 275.994824 159.4
[M+NH4]+ 295.035923 173.5
[M+K]+ 315.965258 161.5
[M+H-H2O]+ 259.999360 153.8
[M+HCOO]- 322.000301 172.0
[M+CH3COO]- 336.015951 201.3
[M+Na-2H]- 297.976766 157.4
[M]+ 277.00155142 157.7
[M]- 277.00264858 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.