CID 5271234

105639-14-3

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)CO
InChI
InChI=1S/C19H24N2O4/c1-14-11-17(25-21-14)5-3-2-4-9-23-18-7-6-15(12-16(18)13-22)19-20-8-10-24-19/h6-7,11-12,22H,2-5,8-10,13H2,1H3
InChIKey
KNXCFHWIKJBKCL-UHFFFAOYSA-N
Compound name
[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

344.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 181.1
[M+Na]+ 367.16282 187.5
[M-H]- 343.16632 188.2
[M+NH4]+ 362.20742 191.7
[M+K]+ 383.13676 185.7
[M+H-H2O]+ 327.17086 172.5
[M+HCOO]- 389.17180 200.0
[M+CH3COO]- 403.18745 207.8
[M+Na-2H]- 365.14827 181.1
[M]+ 344.17305 186.6
[M]- 344.17415 186.6
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.