CID 5271199

Chembl164809

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C(=O)N(C)C
InChI
InChI=1S/C20H28N2O3/c1-16-15-19(25-21-16)9-7-5-4-6-8-14-24-18-12-10-17(11-13-18)20(23)22(2)3/h10-13,15H,4-9,14H2,1-3H3
InChIKey
VRSBCWOCRALHSD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

344.21 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.21728 187.4
[M+Na]+ 367.19922 192.3
[M-H]- 343.20272 194.1
[M+NH4]+ 362.24382 200.1
[M+K]+ 383.17316 190.9
[M+H-H2O]+ 327.20726 178.0
[M+HCOO]- 389.20820 209.6
[M+CH3COO]- 403.22385 218.5
[M+Na-2H]- 365.18467 187.5
[M]+ 344.20945 194.6
[M]- 344.21055 194.6
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