CID 455389

Chembl7012

Structural Information

Molecular Formula
C22H24N4O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H24N4O/c1-2-23-20-8-5-11-24-21(20)25-12-14-26(15-13-25)22(27)19-10-9-17-6-3-4-7-18(17)16-19/h3-11,16,23H,2,12-15H2,1H3
InChIKey
ANIUBUJDCACIOW-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.195 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 188.9
[M+Na]+ 383.18422 193.2
[M-H]- 359.18772 193.9
[M+NH4]+ 378.22882 196.9
[M+K]+ 399.15816 186.3
[M+H-H2O]+ 343.19226 176.1
[M+HCOO]- 405.19320 203.3
[M+CH3COO]- 419.20885 196.2
[M+Na-2H]- 381.16967 192.5
[M]+ 360.19445 184.2
[M]- 360.19555 184.2
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.