CID 11820912

Benzaldehyde, 3-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]-, o-2-propenyloxime

Structural Information

Molecular Formula
C21H25ClN4O2
SMILES
C=CCO/N=C/C1=CC(=CC=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C21H25ClN4O2/c1-2-13-28-23-16-18-4-3-5-19(15-18)27-14-10-17-8-11-26(12-9-17)21-7-6-20(22)24-25-21/h2-7,15-17H,1,8-14H2/b23-16+
InChIKey
CQAAEDYPTFAQSH-XQNSMLJCSA-N
Compound name
(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-prop-2-enoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1666 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17388 197.3
[M+Na]+ 423.15582 202.3
[M-H]- 399.15932 202.3
[M+NH4]+ 418.20042 204.5
[M+K]+ 439.12976 195.2
[M+H-H2O]+ 383.16386 184.3
[M+HCOO]- 445.16480 210.6
[M+CH3COO]- 459.18045 224.1
[M+Na-2H]- 421.14127 199.3
[M]+ 400.16605 198.8
[M]- 400.16715 198.8
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.