CID 5271224

105639-05-2

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)N
InChI
InChI=1S/C18H23N3O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10,19H2,1H3
InChIKey
DKPVEGXTJAHDFD-UHFFFAOYSA-N
Compound name
5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

329.17395 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18123 178.0
[M+Na]+ 352.16317 184.6
[M-H]- 328.16667 186.1
[M+NH4]+ 347.20777 189.4
[M+K]+ 368.13711 182.7
[M+H-H2O]+ 312.17121 169.0
[M+HCOO]- 374.17215 199.0
[M+CH3COO]- 388.18780 209.6
[M+Na-2H]- 350.14862 178.4
[M]+ 329.17340 182.0
[M]- 329.17450 182.0
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.