CID 3041764

Brn 1166861

Structural Information

Molecular Formula

C₂₂H₂₆N₂O₄

SMILES

CCN(C)C1=C(C(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC)CN4CCOCC4

InChI

InChI=1S/C22H26N2O4/c1-4-23(2)22-18(14-24-9-11-27-12-10-24)21(25)20-17-13-16(26-3)7-5-15(17)6-8-19(20)28-22/h5-8,13H,4,9-12,14H2,1-3H3

InChIKey

OPBKOHZJFXYSGS-UHFFFAOYSA-N

Compound name

3-[ethyl(methyl)amino]-9-methoxy-2-(morpholin-4-ylmethyl)benzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 382.18927 Da
Monoisotopic Mass: 2.9
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]+	383.196546	193.6
[M+Na]+	405.178488	201.1
[M-H]-	381.181994	202.9
[M+NH4]+	400.223093	203.5
[M+K]+	421.152428	199.7
[M+H-H2O]+	365.186530	182.5
[M+HCOO]-	427.187471	210.5
[M+CH3COO]-	441.203121	203.6
[M+Na-2H]-	403.163936	198.4
[M]+	382.18872142	198.7
[M]-	382.18981858	198.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe