CID 5271237

105639-17-6

Structural Information

Molecular Formula
C21H27N3O4
SMILES
CCC(=O)NC1=C(C=CC(=C1)C2=NCCO2)OCCCCCC3=CC(=NO3)C
InChI
InChI=1S/C21H27N3O4/c1-3-20(25)23-18-14-16(21-22-10-12-27-21)8-9-19(18)26-11-6-4-5-7-17-13-15(2)24-28-17/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,23,25)
InChIKey
KYMXFNRTZLHYDV-UHFFFAOYSA-N
Compound name
N-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

385.20016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20744 194.2
[M+Na]+ 408.18938 199.2
[M-H]- 384.19288 202.5
[M+NH4]+ 403.23398 203.3
[M+K]+ 424.16332 197.6
[M+H-H2O]+ 368.19742 184.7
[M+HCOO]- 430.19836 214.1
[M+CH3COO]- 444.21401 220.7
[M+Na-2H]- 406.17483 193.0
[M]+ 385.19961 200.1
[M]- 385.20071 200.1
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.