CID 5271238

105639-18-7

Structural Information

Molecular Formula
C20H27N3O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)N(C)C
InChI
InChI=1S/C20H27N3O3/c1-15-13-17(26-22-15)7-5-4-6-11-24-19-9-8-16(14-18(19)23(2)3)20-21-10-12-25-20/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKey
GAPHJWKZCXHWPB-UHFFFAOYSA-N
Compound name
5-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethyl-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

357.20523 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 187.8
[M+Na]+ 380.19445 193.6
[M-H]- 356.19795 197.5
[M+NH4]+ 375.23905 198.9
[M+K]+ 396.16839 193.0
[M+H-H2O]+ 340.20249 178.3
[M+HCOO]- 402.20343 209.1
[M+CH3COO]- 416.21908 219.3
[M+Na-2H]- 378.17990 187.3
[M]+ 357.20468 194.6
[M]- 357.20578 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