CID 3420057

476483-02-0

Structural Information

Molecular Formula
C22H22FN3O
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3F)CNC4=CN=CC=C4
InChI
InChI=1S/C22H22FN3O/c1-14-17(13-25-15-6-5-11-24-12-15)21(16-7-2-3-8-18(16)23)22-19(26-14)9-4-10-20(22)27/h2-3,5-8,11-12,21,25-26H,4,9-10,13H2,1H3
InChIKey
AXYKPNRZBIGKQG-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)-2-methyl-3-[(pyridin-3-ylamino)methyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.17468 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18196 190.4
[M+Na]+ 386.16390 204.9
[M+NH4]+ 381.20850 197.7
[M+K]+ 402.13784 195.5
[M-H]- 362.16740 195.7
[M+Na-2H]- 384.14935 198.2
[M]+ 363.17413 193.9
[M]- 363.17523 193.9
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.