CID 11473234

141645-16-1

Structural Information

Molecular Formula
C19H17NO5
SMILES
CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C19H17NO5/c1-2-3-4-17-18(19(22)12-5-8-14(21)9-6-12)15-11-13(20(23)24)7-10-16(15)25-17/h5-11,21H,2-4H2,1H3
InChIKey
ZJZKLBXEGZKOBW-UHFFFAOYSA-N
Compound name
(2-butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

339.1107 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 176.9
[M+Na]+ 362.09992 191.5
[M+NH4]+ 357.14452 183.8
[M+K]+ 378.07386 189.4
[M-H]- 338.10342 182.7
[M+Na-2H]- 360.08537 182.5
[M]+ 339.11015 180.5
[M]- 339.11125 180.5
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