CID 18975

Diisopropylamino 3-methylflavone-8-carboxylate hydrochloride

Structural Information

Molecular Formula

C₂₅H₂₉NO₄

SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN(C(C)C)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO4/c1-16(2)26(17(3)4)14-15-29-25(28)21-13-9-12-20-22(27)18(5)23(30-24(20)21)19-10-7-6-8-11-19/h6-13,16-17H,14-15H2,1-5H3

InChIKey

PPZDMJCHEXUTND-UHFFFAOYSA-N

Compound name

2-[di(propan-2-yl)amino]ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 407.20966 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	408.216936	201.9
[M+Na]+	430.198878	207.2
[M-H]-	406.202384	211.0
[M+NH4]+	425.243483	212.4
[M+K]+	446.172818	205.9
[M+H-H2O]+	390.206920	192.1
[M+HCOO]-	452.207861	220.7
[M+CH3COO]-	466.223511	234.4
[M+Na-2H]-	428.184326	201.2
[M]+	407.20911142	208.4
[M]-	407.21020858	208.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.