CID 42887770

1031496-06-6

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)N3CCCC4=CC=CC=C43
InChI
InChI=1S/C21H21N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,14,20H,7,11,13H2,1H3,(H,22,23,25)
InChIKey
KSEXDSJYVSEVGF-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

347.1634 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 183.4
[M+Na]+ 370.15262 196.8
[M+NH4]+ 365.19722 190.9
[M+K]+ 386.12656 191.4
[M-H]- 346.15612 190.3
[M+Na-2H]- 368.13807 191.2
[M]+ 347.16285 187.2
[M]- 347.16395 187.2
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

patents stripe