CID 927908

Kribb3

Structural Information

Molecular Formula
C19H19NO4
SMILES
CCC1=CC(=C(C=C1OC)O)C2=C(C=NO2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H19NO4/c1-4-12-9-15(17(21)10-18(12)23-3)19-16(11-20-24-19)13-5-7-14(22-2)8-6-13/h5-11,21H,4H2,1-3H3
InChIKey
BNBHIGLOMVMJDB-UHFFFAOYSA-N
Compound name
4-ethyl-5-methoxy-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

62
Patents

325.1314 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 175.6
[M+Na]+ 348.120618 185.1
[M-H]- 324.124124 184.6
[M+NH4]+ 343.165223 188.5
[M+K]+ 364.094558 182.1
[M+H-H2O]+ 308.128660 167.0
[M+HCOO]- 370.129601 197.4
[M+CH3COO]- 384.145251 207.1
[M+Na-2H]- 346.106066 177.4
[M]+ 325.13085142 181.5
[M]- 325.13194858 181.5
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