CID 3058824

Acetamide, n-(4,8-dimethyl-2-oxo-2h-furo(2,3-h)-1-benzopyran-9-yl)-2-(n-methylpiperazinyl)-, hydrochloride

Structural Information

Molecular Formula
C20H23N3O4
SMILES
CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C)NC(=O)CN4CCN(CC4)C
InChI
InChI=1S/C20H23N3O4/c1-12-10-17(25)27-20-14(12)4-5-15-18(20)19(13(2)26-15)21-16(24)11-23-8-6-22(3)7-9-23/h4-5,10H,6-9,11H2,1-3H3,(H,21,24)
InChIKey
MPJPYBWVGQBWSO-UHFFFAOYSA-N
Compound name
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.16885 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17613 189.6
[M+Na]+ 392.15807 198.8
[M-H]- 368.16157 197.4
[M+NH4]+ 387.20267 200.4
[M+K]+ 408.13201 196.0
[M+H-H2O]+ 352.16611 180.5
[M+HCOO]- 414.16705 205.6
[M+CH3COO]- 428.18270 199.9
[M+Na-2H]- 390.14352 191.5
[M]+ 369.16830 193.6
[M]- 369.16940 193.6
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.