CID 3051684

4h-1-benzopyran-4-one, 2-(4-(3-(dibutylamino)propoxy)-3,5-dimethylbenzoyl)-3-methyl-, hydrochloride

Structural Information

Molecular Formula
C30H39NO4
SMILES
CCCCN(CCCC)CCCOC1=C(C=C(C=C1C)C(=O)C2=C(C(=O)C3=CC=CC=C3O2)C)C
InChI
InChI=1S/C30H39NO4/c1-6-8-15-31(16-9-7-2)17-12-18-34-29-21(3)19-24(20-22(29)4)28(33)30-23(5)27(32)25-13-10-11-14-26(25)35-30/h10-11,13-14,19-20H,6-9,12,15-18H2,1-5H3
InChIKey
OHVYUXFOJYWQJS-UHFFFAOYSA-N
Compound name
2-[4-[3-(dibutylamino)propoxy]-3,5-dimethylbenzoyl]-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

477.2879 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.29518 222.8
[M+Na]+ 500.27712 236.7
[M+NH4]+ 495.32172 228.6
[M+K]+ 516.25106 227.6
[M-H]- 476.28062 229.1
[M+Na-2H]- 498.26257 227.4
[M]+ 477.28735 226.7
[M]- 477.28845 226.7
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