CID 16205490

84434-52-6

Structural Information

Molecular Formula
C34H54O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C34H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(35)37-30-25-26-31-29(2)27-34(36)38-32(31)28-30/h25-28H,3-24H2,1-2H3
InChIKey
BBJLPGKQHTUSCG-UHFFFAOYSA-N
Compound name
(4-methyl-2-oxochromen-7-yl) tetracosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

526.4022 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.409476 244.6
[M+Na]+ 549.391418 245.1
[M-H]- 525.394924 246.1
[M+NH4]+ 544.436023 250.2
[M+K]+ 565.365358 239.3
[M+H-H2O]+ 509.399460 233.7
[M+HCOO]- 571.400401 259.4
[M+CH3COO]- 585.416051 252.9
[M+Na-2H]- 547.376866 239.8
[M]+ 526.40165142 257.1
[M]- 526.40274858 257.1
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

patents stripe