CID 55754

Ofornine

Structural Information

Molecular Formula
C17H19N3O
SMILES
C1CCN(CC1)C(=O)C2=CC=CC=C2NC3=CC=NC=C3
InChI
InChI=1S/C17H19N3O/c21-17(20-12-4-1-5-13-20)15-6-2-3-7-16(15)19-14-8-10-18-11-9-14/h2-3,6-11H,1,4-5,12-13H2,(H,18,19)
InChIKey
YMODINPJYNHPTM-UHFFFAOYSA-N
Compound name
piperidin-1-yl-[2-(pyridin-4-ylamino)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

254
Patents

281.1528 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.1
[M+Na]+ 304.14202 169.5
[M-H]- 280.14552 171.7
[M+NH4]+ 299.18662 177.6
[M+K]+ 320.11596 164.7
[M+H-H2O]+ 264.15006 155.1
[M+HCOO]- 326.15100 184.1
[M+CH3COO]- 340.16665 175.3
[M+Na-2H]- 302.12747 170.7
[M]+ 281.15225 159.8
[M]- 281.15335 159.8
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.