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]+ 265.12230 160.3
[M+Na]+ 287.10424 169.0
[M-H]- 263.10774 163.2
[M+NH4]+ 282.14884 181.2
[M+K]+ 303.07818 163.0
[M+H-H2O]+ 247.11228 154.5
[M+HCOO]- 309.11322 178.3
[M+CH3COO]- 323.12887 172.1
[M+Na-2H]- 285.08969 166.7
[M]+ 264.11447 163.8
[M]- 264.11557 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.