CID 171119185

Adipostatin g

Structural Information

Molecular Formula
C23H40O2
SMILES
CC(C)CCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C23H40O2/c1-20(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-17-22(24)19-23(25)18-21/h17-20,24-25H,3-16H2,1-2H3
InChIKey
UFTTXMPOCPMDFO-UHFFFAOYSA-N
Compound name
5-(15-methylhexadecyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.30283 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.31011 194.9
[M+Na]+ 371.29205 196.9
[M-H]- 347.29555 193.7
[M+NH4]+ 366.33665 207.1
[M+K]+ 387.26599 191.3
[M+H-H2O]+ 331.30009 187.2
[M+HCOO]- 393.30103 211.1
[M+CH3COO]- 407.31668 215.2
[M+Na-2H]- 369.27750 191.8
[M]+ 348.30228 199.1
[M]- 348.30338 199.1
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.