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]+ 347.196546 184.4
[M+Na]+ 369.178488 191.7
[M-H]- 345.181994 189.4
[M+NH4]+ 364.223093 194.8
[M+K]+ 385.152428 188.9
[M+H-H2O]+ 329.186530 174.0
[M+HCOO]- 391.187471 199.6
[M+CH3COO]- 405.203121 214.7
[M+Na-2H]- 367.163936 186.8
[M]+ 346.18872142 188.1
[M]- 346.18981858 188.1
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.