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
2
Annotation Hits

1
References

255
Patents

281.1528 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.160076 166.1
[M+Na]+ 304.142018 169.5
[M-H]- 280.145524 171.7
[M+NH4]+ 299.186623 177.6
[M+K]+ 320.115958 164.7
[M+H-H2O]+ 264.150060 155.1
[M+HCOO]- 326.151001 184.1
[M+CH3COO]- 340.166651 175.3
[M+Na-2H]- 302.127466 170.7
[M]+ 281.15225142 159.8
[M]- 281.15334858 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

literature stripe

Patent stripe

patents stripe