CID 9579261

Chembl109140

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C=N/O
InChI
InChI=1S/C19H24N4O2/c1-15-2-7-19(22-21-15)23-11-8-16(9-12-23)10-13-25-18-5-3-17(4-6-18)14-20-24/h2-7,14,16,24H,8-13H2,1H3/b20-14+
InChIKey
PHRBHINVXSIXRQ-XSFVSMFZSA-N
Compound name
(NE)-N-[[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.1899 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 183.6
[M+Na]+ 363.17912 188.2
[M-H]- 339.18262 188.0
[M+NH4]+ 358.22372 191.9
[M+K]+ 379.15306 182.7
[M+H-H2O]+ 323.18716 171.2
[M+HCOO]- 385.18810 200.7
[M+CH3COO]- 399.20375 213.1
[M+Na-2H]- 361.16457 186.9
[M]+ 340.18935 181.2
[M]- 340.19045 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.