CID 13522517

96402-30-1

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC1=CC2=C(C=C1C)OCC(C2=O)CN3CCN(CC3)C
InChI
InChI=1S/C17H24N2O2/c1-12-8-15-16(9-13(12)2)21-11-14(17(15)20)10-19-6-4-18(3)5-7-19/h8-9,14H,4-7,10-11H2,1-3H3
InChIKey
ORXFDJORDIBYSG-UHFFFAOYSA-N
Compound name
6,7-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 171.8
[M+Na]+ 311.17300 178.4
[M-H]- 287.17650 176.4
[M+NH4]+ 306.21760 184.7
[M+K]+ 327.14694 175.1
[M+H-H2O]+ 271.18104 162.3
[M+HCOO]- 333.18198 184.5
[M+CH3COO]- 347.19763 205.1
[M+Na-2H]- 309.15845 173.1
[M]+ 288.18323 169.1
[M]- 288.18433 169.1
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.