CID 373241

Nsc649270

Structural Information

Molecular Formula
C18H16O3
SMILES
CC1CCCC2=C1C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O
InChI
InChI=1S/C18H16O3/c1-10-4-2-6-14-16(10)13-9-8-11-12(5-3-7-15(11)19)17(13)21-18(14)20/h3,5,7-10,19H,2,4,6H2,1H3
InChIKey
VSIBYLUZYNYFPG-UHFFFAOYSA-N
Compound name
1-hydroxy-10-methyl-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10995 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 159.9
[M+Na]+ 303.09917 170.7
[M-H]- 279.10267 166.3
[M+NH4]+ 298.14377 177.5
[M+K]+ 319.07311 166.3
[M+H-H2O]+ 263.10721 152.4
[M+HCOO]- 325.10815 177.4
[M+CH3COO]- 339.12380 172.4
[M+Na-2H]- 301.08462 168.2
[M]+ 280.10940 161.9
[M]- 280.11050 161.9
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.