CID 11820857

1-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]phenyl]-n-ethoxy-methanimine

Structural Information

Molecular Formula
C19H24ClN5O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCN2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C19H24ClN5O2/c1-2-27-21-15-16-3-5-17(6-4-16)26-14-13-24-9-11-25(12-10-24)19-8-7-18(20)22-23-19/h3-8,15H,2,9-14H2,1H3/b21-15+
InChIKey
RXUXJZWQJDBXCL-RCCKNPSSSA-N
Compound name
(E)-1-[4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16187 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16915 193.3
[M+Na]+ 412.15109 198.8
[M-H]- 388.15459 197.2
[M+NH4]+ 407.19569 199.6
[M+K]+ 428.12503 192.5
[M+H-H2O]+ 372.15913 179.7
[M+HCOO]- 434.16007 205.6
[M+CH3COO]- 448.17572 221.7
[M+Na-2H]- 410.13654 196.5
[M]+ 389.16132 195.2
[M]- 389.16242 195.2
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.