CID 168010247

Nostoclide n1

Structural Information

Molecular Formula
C19H16O3
SMILES
CC\1=C(C(=O)O/C1=C\C2=CC=C(C=C2)O)CC3=CC=CC=C3
InChI
InChI=1S/C19H16O3/c1-13-17(11-14-5-3-2-4-6-14)19(21)22-18(13)12-15-7-9-16(20)10-8-15/h2-10,12,20H,11H2,1H3/b18-12-
InChIKey
CFVWITDRESMAJD-PDGQHHTCSA-N
Compound name
(5Z)-3-benzyl-5-[(4-hydroxyphenyl)methylidene]-4-methylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 167.3
[M+Na]+ 315.09917 175.9
[M-H]- 291.10267 177.1
[M+NH4]+ 310.14377 182.7
[M+K]+ 331.07311 171.3
[M+H-H2O]+ 275.10721 160.1
[M+HCOO]- 337.10815 189.4
[M+CH3COO]- 351.12380 199.3
[M+Na-2H]- 313.08462 169.0
[M]+ 292.10940 168.1
[M]- 292.11050 168.1
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

No patent data available for this compound.