CID 11820864

3-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]-5-[(e)-methoxyiminomethyl]phenol

Structural Information

Molecular Formula
C19H23ClN4O3
SMILES
CO/N=C/C1=CC(=CC(=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)Cl)O
InChI
InChI=1S/C19H23ClN4O3/c1-26-21-13-15-10-16(25)12-17(11-15)27-9-6-14-4-7-24(8-5-14)19-3-2-18(20)22-23-19/h2-3,10-14,25H,4-9H2,1H3/b21-13+
InChIKey
XMDHCDMUHCNBNN-FYJGNVAPSA-N
Compound name
3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]-5-[(E)-methoxyiminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.14587 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15315 192.3
[M+Na]+ 413.13509 198.3
[M-H]- 389.13859 196.9
[M+NH4]+ 408.17969 199.6
[M+K]+ 429.10903 192.2
[M+H-H2O]+ 373.14313 180.3
[M+HCOO]- 435.14407 204.9
[M+CH3COO]- 449.15972 220.0
[M+Na-2H]- 411.12054 194.5
[M]+ 390.14532 194.0
[M]- 390.14642 194.0
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.