CID 11820931

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

Structural Information

Molecular Formula
C21H27FN4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C=N/OCCF
InChI
InChI=1S/C21H27FN4O2/c1-17-2-7-21(25-24-17)26-12-8-18(9-13-26)10-14-27-20-5-3-19(4-6-20)16-23-28-15-11-22/h2-7,16,18H,8-15H2,1H3/b23-16+
InChIKey
ASTFQHAJCVRCOD-XQNSMLJCSA-N
Compound name
(E)-N-(2-fluoroethoxy)-1-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2118 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21908 195.2
[M+Na]+ 409.20102 199.2
[M-H]- 385.20452 199.0
[M+NH4]+ 404.24562 202.1
[M+K]+ 425.17496 193.6
[M+H-H2O]+ 369.20906 180.9
[M+HCOO]- 431.21000 211.8
[M+CH3COO]- 445.22565 223.9
[M+Na-2H]- 407.18647 197.1
[M]+ 386.21125 194.2
[M]- 386.21235 194.2
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.