CID 11820848

1-[4-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]-3,5-dimethyl-phenyl]-n-methoxy-methanimine

Structural Information

Molecular Formula
C21H27ClN4O2
SMILES
CC1=CC(=CC(=C1OCCC2CCN(CC2)C3=NN=C(C=C3)Cl)C)/C=N/OC
InChI
InChI=1S/C21H27ClN4O2/c1-15-12-18(14-23-27-3)13-16(2)21(15)28-11-8-17-6-9-26(10-7-17)20-5-4-19(22)24-25-20/h4-5,12-14,17H,6-11H2,1-3H3/b23-14+
InChIKey
CXGWWDACKANZGW-OEAKJJBVSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-3,5-dimethylphenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.18225 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.18953 199.9
[M+Na]+ 425.17147 206.5
[M-H]- 401.17497 205.7
[M+NH4]+ 420.21607 207.8
[M+K]+ 441.14541 200.1
[M+H-H2O]+ 385.17951 187.3
[M+HCOO]- 447.18045 212.9
[M+CH3COO]- 461.19610 227.2
[M+Na-2H]- 423.15692 200.3
[M]+ 402.18170 203.0
[M]- 402.18280 203.0
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.