CID 11820842

1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-n-ethoxy-methanimine

Structural Information

Molecular Formula
C18H22ClN3O3
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCCCCOC2=NN=C(C=C2)Cl
InChI
InChI=1S/C18H22ClN3O3/c1-2-25-20-14-15-6-8-16(9-7-15)23-12-4-3-5-13-24-18-11-10-17(19)21-22-18/h6-11,14H,2-5,12-13H2,1H3/b20-14+
InChIKey
GDZOKZNKHJIKMM-XSFVSMFZSA-N
Compound name
(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.13498 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14226 184.4
[M+Na]+ 386.12420 191.3
[M-H]- 362.12770 188.7
[M+NH4]+ 381.16880 195.3
[M+K]+ 402.09814 186.3
[M+H-H2O]+ 346.13224 173.7
[M+HCOO]- 408.13318 203.3
[M+CH3COO]- 422.14883 217.1
[M+Na-2H]- 384.10965 189.5
[M]+ 363.13443 193.2
[M]- 363.13553 193.2
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.