CID 362064

Nsc625586

Structural Information

Molecular Formula
C18H16O2
SMILES
C1=CC2=C3C(=C1)C(C4=CC=CC(=C43)C=C2)C(CO)CO
InChI
InChI=1S/C18H16O2/c19-9-13(10-20)16-14-5-1-3-11-7-8-12-4-2-6-15(16)18(12)17(11)14/h1-8,13,16,19-20H,9-10H2
InChIKey
LOJTUXVIMRBCTL-UHFFFAOYSA-N
Compound name
2-(15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11502 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.122296 160.3
[M+Na]+ 287.104238 169.0
[M-H]- 263.107744 163.2
[M+NH4]+ 282.148843 181.2
[M+K]+ 303.078178 163.0
[M+H-H2O]+ 247.112280 154.5
[M+HCOO]- 309.113221 178.3
[M+CH3COO]- 323.128871 172.1
[M+Na-2H]- 285.089686 166.7
[M]+ 264.11447142 163.8
[M]- 264.11556858 163.8
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.