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

literature stripe

Patent stripe

patents stripe