CID 5428643

8-[(diisobutylamino)methyl]-7-hydroxy-3-phenyl-4h-chromen-4-one

Structural Information

Molecular Formula
C24H29NO3
SMILES
CC(C)CN(CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O)CC(C)C
InChI
InChI=1S/C24H29NO3/c1-16(2)12-25(13-17(3)4)14-20-22(26)11-10-19-23(27)21(15-28-24(19)20)18-8-6-5-7-9-18/h5-11,15-17,26H,12-14H2,1-4H3
InChIKey
YZRZHQQMBWDZIF-UHFFFAOYSA-N
Compound name
8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

379.21475 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22203 195.9
[M+Na]+ 402.20397 201.3
[M-H]- 378.20747 203.7
[M+NH4]+ 397.24857 207.0
[M+K]+ 418.17791 198.6
[M+H-H2O]+ 362.21201 186.5
[M+HCOO]- 424.21295 214.2
[M+CH3COO]- 438.22860 227.4
[M+Na-2H]- 400.18942 196.2
[M]+ 379.21420 200.2
[M]- 379.21530 200.2
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.