CID 3073430

148711-88-0

Structural Information

Molecular Formula
C21H30N2O3
SMILES
CC(=O)C1=C(C2=C(C=C1)OC(C=C2)(C)C)OCCCN3CCN(CC3)C
InChI
InChI=1S/C21H30N2O3/c1-16(24)17-6-7-19-18(8-9-21(2,3)26-19)20(17)25-15-5-10-23-13-11-22(4)12-14-23/h6-9H,5,10-15H2,1-4H3
InChIKey
NJEKJRDMWKXADV-UHFFFAOYSA-N
Compound name
1-[2,2-dimethyl-5-[3-(4-methylpiperazin-1-yl)propoxy]chromen-6-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.22565 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23293 189.9
[M+Na]+ 381.21487 195.2
[M-H]- 357.21837 194.1
[M+NH4]+ 376.25947 201.4
[M+K]+ 397.18881 192.5
[M+H-H2O]+ 341.22291 179.7
[M+HCOO]- 403.22385 201.9
[M+CH3COO]- 417.23950 217.9
[M+Na-2H]- 379.20032 191.0
[M]+ 358.22510 190.7
[M]- 358.22620 190.7
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.