CID 3073448

2h-1-benzopyran-2-one, 7-methoxy-4-methyl-8-(3-(4-methyl-1-piperazinyl)propoxy)-

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2OCCCN3CCN(CC3)C)OC
InChI
InChI=1S/C19H26N2O4/c1-14-13-17(22)25-18-15(14)5-6-16(23-3)19(18)24-12-4-7-21-10-8-20(2)9-11-21/h5-6,13H,4,7-12H2,1-3H3
InChIKey
CGJFUXKXMRUYQD-UHFFFAOYSA-N
Compound name
7-methoxy-4-methyl-8-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.18927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 183.8
[M+Na]+ 369.17849 197.8
[M+NH4]+ 364.22309 190.3
[M+K]+ 385.15243 190.7
[M-H]- 345.18199 188.0
[M+Na-2H]- 367.16394 188.3
[M]+ 346.18872 187.0
[M]- 346.18982 187.0
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.