CID 9577638

Diclofurime

Structural Information

Molecular Formula
C18H22Cl2N2O3
SMILES
CCN(CC)CCO/N=C(\C1=C(C(=C(C=C1)OC)Cl)Cl)/C2=CC=CO2
InChI
InChI=1S/C18H22Cl2N2O3/c1-4-22(5-2)10-12-25-21-18(15-7-6-11-24-15)13-8-9-14(23-3)17(20)16(13)19/h6-9,11H,4-5,10,12H2,1-3H3/b21-18+
InChIKey
VHEJZMZHDUPRNV-DYTRJAOYSA-N
Compound name
2-[(E)-[(2,3-dichloro-4-methoxyphenyl)-(furan-2-yl)methylidene]amino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

42
Patents

384.10074 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.108016 194.4
[M+Na]+ 407.089958 201.8
[M-H]- 383.093464 203.6
[M+NH4]+ 402.134563 208.9
[M+K]+ 423.063898 198.4
[M+H-H2O]+ 367.098000 187.1
[M+HCOO]- 429.098941 211.2
[M+CH3COO]- 443.114591 226.1
[M+Na-2H]- 405.075406 194.2
[M]+ 384.10019142 205.3
[M]- 384.10128858 205.3
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

patents stripe