CID 11820932

6-[6-[4-[2-[4-[(e)-ethoxyiminomethyl]phenoxy]ethyl]-1-piperidyl]pyridazin-3-yl]-n-methyl-pyridazin-3-amine oxide

Structural Information

Molecular Formula
C25H30N7O3
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C4=NN=C(C=C4)[N+](=O)C
InChI
InChI=1S/C25H30N7O3/c1-3-35-26-18-20-4-6-21(7-5-20)34-17-14-19-12-15-32(16-13-19)25-11-9-23(28-30-25)22-8-10-24(29-27-22)31(2)33/h4-11,18-19H,3,12-17H2,1-2H3/q+1/b26-18+
InChIKey
CDANHSYEIJVUQX-NLRVBDNBSA-N
Compound name
[6-[6-[4-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethyl]piperidin-1-yl]pyridazin-3-yl]pyridazin-3-yl]-methyl-oxoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.24103 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.24831 219.1
[M+Na]+ 499.23025 221.8
[M-H]- 475.23375 226.4
[M+NH4]+ 494.27485 218.6
[M+K]+ 515.20419 210.5
[M+H-H2O]+ 459.23829 204.8
[M+HCOO]- 521.23923 234.8
[M+CH3COO]- 535.25488 238.2
[M+Na-2H]- 497.21570 224.6
[M]+ 476.24048 218.4
[M]- 476.24158 218.4
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.