CID 365038

Nsc631973

Structural Information

Molecular Formula
C25H30O3
SMILES
CCCCCCCCCC1=CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C25H30O3/c1-2-3-4-5-6-7-11-14-22-17-24(26)23-16-15-21(18-25(23)28-22)27-19-20-12-9-8-10-13-20/h8-10,12-13,15-18H,2-7,11,14,19H2,1H3
InChIKey
VTWSQHUFJAHKDE-UHFFFAOYSA-N
Compound name
2-nonyl-7-phenylmethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.21948 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.22676 195.9
[M+Na]+ 401.20870 201.9
[M-H]- 377.21220 203.0
[M+NH4]+ 396.25330 207.4
[M+K]+ 417.18264 197.1
[M+H-H2O]+ 361.21674 185.9
[M+HCOO]- 423.21768 215.9
[M+CH3COO]- 437.23333 221.3
[M+Na-2H]- 399.19415 199.3
[M]+ 378.21893 202.5
[M]- 378.22003 202.5
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.