CID 101420967

3'-n-acetyl-4'-o-(14-methylpentadecanoyl)fusarochromanone

Structural Information

Molecular Formula
C33H52N2O6
SMILES
CC(C)CCCCCCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C
InChI
InChI=1S/C33H52N2O6/c1-23(2)16-14-12-10-8-6-7-9-11-13-15-17-30(39)40-22-25(35-24(3)36)20-27(37)26-18-19-29-31(32(26)34)28(38)21-33(4,5)41-29/h18-19,23,25H,6-17,20-22,34H2,1-5H3,(H,35,36)
InChIKey
PTECXARPZZIJIP-UHFFFAOYSA-N
Compound name
[2-acetamido-4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-4-oxobutyl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.3825 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.38978 249.2
[M+Na]+ 595.37172 247.5
[M-H]- 571.37522 250.2
[M+NH4]+ 590.41632 253.5
[M+K]+ 611.34566 245.9
[M+H-H2O]+ 555.37976 240.6
[M+HCOO]- 617.38070 259.6
[M+CH3COO]- 631.39635 267.4
[M+Na-2H]- 593.35717 240.5
[M]+ 572.38195 256.0
[M]- 572.38305 256.0
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.