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 189.0
[M+Na]+ 386.16390 195.2
[M-H]- 362.16740 193.4
[M+NH4]+ 381.20850 198.2
[M+K]+ 402.13784 186.8
[M+H-H2O]+ 346.17194 176.6
[M+HCOO]- 408.17288 203.2
[M+CH3COO]- 422.18853 196.6
[M+Na-2H]- 384.14935 191.0
[M]+ 363.17413 182.6
[M]- 363.17523 182.6
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.