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

literature stripe

Patent stripe

patents stripe