CID 11820890

1-[4-[4-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]butoxy]phenyl]-n-methoxy-methanimine

Structural Information

Molecular Formula
C20H26ClN5O2
SMILES
CO/N=C/C1=CC=C(C=C1)OCCCCN2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C20H26ClN5O2/c1-27-22-16-17-4-6-18(7-5-17)28-15-3-2-10-25-11-13-26(14-12-25)20-9-8-19(21)23-24-20/h4-9,16H,2-3,10-15H2,1H3/b22-16+
InChIKey
FFANXHZFJCTMEL-CJLVFECKSA-N
Compound name
(E)-1-[4-[4-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]butoxy]phenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1775 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18478 197.5
[M+Na]+ 426.16672 202.5
[M-H]- 402.17022 201.2
[M+NH4]+ 421.21132 203.2
[M+K]+ 442.14066 196.0
[M+H-H2O]+ 386.17476 183.6
[M+HCOO]- 448.17570 209.4
[M+CH3COO]- 462.19135 224.6
[M+Na-2H]- 424.15217 200.1
[M]+ 403.17695 199.7
[M]- 403.17805 199.7
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.