CID 135435038

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

Structural Information

Molecular Formula
C21H28N4O3
SMILES
CCO/N=C/C1=C(C=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C)O
InChI
InChI=1S/C21H28N4O3/c1-3-28-22-15-18-5-6-19(14-20(18)26)27-13-10-17-8-11-25(12-9-17)21-7-4-16(2)23-24-21/h4-7,14-15,17,26H,3,8-13H2,1-2H3/b22-15+
InChIKey
BICKEWLFQPMZJK-PXLXIMEGSA-N
Compound name
2-[(E)-ethoxyiminomethyl]-5-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.21616 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22344 195.6
[M+Na]+ 407.20538 199.9
[M-H]- 383.20888 200.1
[M+NH4]+ 402.24998 202.2
[M+K]+ 423.17932 194.8
[M+H-H2O]+ 367.21342 182.8
[M+HCOO]- 429.21436 212.1
[M+CH3COO]- 443.23001 222.4
[M+Na-2H]- 405.19083 197.1
[M]+ 384.21561 195.7
[M]- 384.21671 195.7
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.