CID 15956524

1-[2-(1h-benzimidazol-2-yl)ethoxy]-2,6-diphenyl-piperidin-4-one oxime

Structural Information

Molecular Formula
C26H26N4O2
SMILES
C1C(N(C(CC1=NO)C2=CC=CC=C2)OCCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5
InChI
InChI=1S/C26H26N4O2/c31-29-21-17-24(19-9-3-1-4-10-19)30(25(18-21)20-11-5-2-6-12-20)32-16-15-26-27-22-13-7-8-14-23(22)28-26/h1-14,24-25,31H,15-18H2,(H,27,28)
InChIKey
GCPDGZFZGFJYLN-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-benzimidazol-2-yl)ethoxy]-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.20557 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21285 202.0
[M+Na]+ 449.19479 207.1
[M-H]- 425.19829 209.7
[M+NH4]+ 444.23939 208.3
[M+K]+ 465.16873 198.5
[M+H-H2O]+ 409.20283 188.9
[M+HCOO]- 471.20377 218.1
[M+CH3COO]- 485.21942 209.0
[M+Na-2H]- 447.18024 203.9
[M]+ 426.20502 198.9
[M]- 426.20612 198.9
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.