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

literature stripe

Patent stripe

patents stripe