CID 11820923

[6-[4-[2-[4-[(e)-ethoxyiminomethyl]phenoxy]ethyl]-1-piperidyl]pyridazin-3-yl]methanol

Structural Information

Molecular Formula
C21H28N4O3
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)CO
InChI
InChI=1S/C21H28N4O3/c1-2-28-22-15-18-3-6-20(7-4-18)27-14-11-17-9-12-25(13-10-17)21-8-5-19(16-26)23-24-21/h3-8,15,17,26H,2,9-14,16H2,1H3/b22-15+
InChIKey
GVAQMBGIACVDDX-PXLXIMEGSA-N
Compound name
[6-[4-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethyl]piperidin-1-yl]pyridazin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.21616 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22344 194.4
[M+Na]+ 407.20538 197.8
[M-H]- 383.20888 198.5
[M+NH4]+ 402.24998 200.7
[M+K]+ 423.17932 192.7
[M+H-H2O]+ 367.21342 181.4
[M+HCOO]- 429.21436 210.9
[M+CH3COO]- 443.23001 221.1
[M+Na-2H]- 405.19083 196.8
[M]+ 384.21561 194.1
[M]- 384.21671 194.1
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.