CID 11820866

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

Structural Information

Molecular Formula
C22H27ClN4O2
SMILES
CC1=C(C=CC(=C1)/C=N/OCC=C)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C22H27ClN4O2/c1-3-13-29-24-16-19-4-5-20(17(2)15-19)28-14-10-18-8-11-27(12-9-18)22-7-6-21(23)25-26-22/h3-7,15-16,18H,1,8-14H2,2H3/b24-16+
InChIKey
SLYDZOIOFSOBKP-LFVJCYFKSA-N
Compound name
(E)-1-[4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-3-methylphenyl]-N-prop-2-enoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.18225 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18953 202.5
[M+Na]+ 437.17147 208.0
[M-H]- 413.17497 207.7
[M+NH4]+ 432.21607 209.4
[M+K]+ 453.14541 200.7
[M+H-H2O]+ 397.17951 189.5
[M+HCOO]- 459.18045 215.4
[M+CH3COO]- 473.19610 228.2
[M+Na-2H]- 435.15692 203.2
[M]+ 414.18170 204.8
[M]- 414.18280 204.8
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.