CID 2726636

Ns00018263

Structural Information

Molecular Formula
C14H11Cl2N3O7
SMILES
COC1=C(C(=C(C=C1Cl)Cl)OC)C(=O)ON=C(C2=CC=C(O2)[N+](=O)[O-])N
InChI
InChI=1S/C14H11Cl2N3O7/c1-23-11-6(15)5-7(16)12(24-2)10(11)14(20)26-18-13(17)8-3-4-9(25-8)19(21)22/h3-5H,1-2H3,(H2,17,18)
InChIKey
LFUAXBLCUVVLFT-UHFFFAOYSA-N
Compound name
[[amino-(5-nitrofuran-2-yl)methylidene]amino] 3,5-dichloro-2,6-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

402.9974 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.004676 189.4
[M+Na]+ 425.986618 196.5
[M-H]- 401.990124 197.6
[M+NH4]+ 421.031223 200.8
[M+K]+ 441.960558 191.0
[M+H-H2O]+ 385.994660 187.9
[M+HCOO]- 447.995601 206.7
[M+CH3COO]- 462.011251 218.0
[M+Na-2H]- 423.972066 191.1
[M]+ 402.99685142 197.2
[M]- 402.99794858 197.2
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.