CID 42887770

Cim0216

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

12
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 182.5
[M+Na]+ 370.15262 187.1
[M-H]- 346.15612 190.4
[M+NH4]+ 365.19722 193.0
[M+K]+ 386.12656 183.1
[M+H-H2O]+ 330.16066 171.9
[M+HCOO]- 392.16160 199.5
[M+CH3COO]- 406.17725 191.6
[M+Na-2H]- 368.13807 184.8
[M]+ 347.16285 180.5
[M]- 347.16395 180.5
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.