CID 3070621

86683-98-9

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC(CC(=O)NC1=CC(=NO1)C2=CC=CC=C2)N3CCCC3
InChI
InChI=1S/C17H21N3O2/c1-13(20-9-5-6-10-20)11-16(21)18-17-12-15(19-22-17)14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,18,21)
InChIKey
GWTHWQINBWUWAZ-UHFFFAOYSA-N
Compound name
N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 170.8
[M+Na]+ 322.152618 174.7
[M-H]- 298.156124 178.2
[M+NH4]+ 317.197223 184.2
[M+K]+ 338.126558 172.7
[M+H-H2O]+ 282.160660 161.5
[M+HCOO]- 344.161601 190.4
[M+CH3COO]- 358.177251 203.3
[M+Na-2H]- 320.138066 170.4
[M]+ 299.16285142 169.3
[M]- 299.16394858 169.3
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.