CID 3237904

Mls000089581

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC1=CC(=NC=C1)NC(=O)CCCOC2=CC(=O)N(C3=CC=CC=C32)C
InChI
InChI=1S/C20H21N3O3/c1-14-9-10-21-18(12-14)22-19(24)8-5-11-26-17-13-20(25)23(2)16-7-4-3-6-15(16)17/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,21,22,24)
InChIKey
KRZBWKRPRKNWHY-UHFFFAOYSA-N
Compound name
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1145
Patents

351.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 184.4
[M+Na]+ 374.147518 192.3
[M-H]- 350.151024 189.3
[M+NH4]+ 369.192123 195.3
[M+K]+ 390.121458 187.1
[M+H-H2O]+ 334.155560 173.7
[M+HCOO]- 396.156501 204.5
[M+CH3COO]- 410.172151 217.6
[M+Na-2H]- 372.132966 188.9
[M]+ 351.15775142 188.1
[M]- 351.15884858 188.1
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.