CID 9797857

4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile

Structural Information

Molecular Formula
C19H20N4O2
SMILES
COC1=CC(=NC=C1)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C19H20N4O2/c1-25-17-6-9-21-18(12-17)22-16-7-10-23(11-8-16)19(24)15-4-2-14(13-20)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,22)
InChIKey
SZUVGMCKKLJAFX-UHFFFAOYSA-N
Compound name
4-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

336.15863 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.165906 180.5
[M+Na]+ 359.147848 187.0
[M-H]- 335.151354 184.1
[M+NH4]+ 354.192453 188.6
[M+K]+ 375.121788 180.5
[M+H-H2O]+ 319.155890 162.9
[M+HCOO]- 381.156831 194.3
[M+CH3COO]- 395.172481 221.4
[M+Na-2H]- 357.133296 181.9
[M]+ 336.15808142 171.7
[M]- 336.15917858 171.7
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