CID 3053455

Brn 0823631

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CC1=C(C(=O)C2=C(O1)C=CC(=C2)OC)N3CCN(CC3)C
InChI
InChI=1S/C16H20N2O3/c1-11-15(18-8-6-17(2)7-9-18)16(19)13-10-12(20-3)4-5-14(13)21-11/h4-5,10H,6-9H2,1-3H3
InChIKey
OWIMUIJMLSNZLE-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 167.9
[M+Na]+ 311.136618 176.8
[M-H]- 287.140124 173.5
[M+NH4]+ 306.181223 180.8
[M+K]+ 327.110558 174.0
[M+H-H2O]+ 271.144660 158.3
[M+HCOO]- 333.145601 184.0
[M+CH3COO]- 347.161251 203.6
[M+Na-2H]- 309.122066 171.8
[M]+ 288.14685142 169.2
[M]- 288.14794858 169.2
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.