CID 3068794

83823-26-1

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2
InChI
InChI=1S/C15H18N2O2/c1-16-6-8-17(9-7-16)15(18)13-10-12-4-2-3-5-14(12)19-11-13/h2-5,10H,6-9,11H2,1H3
InChIKey
WTXNAKJCDLIXOH-UHFFFAOYSA-N
Compound name
2H-chromen-3-yl-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.13684 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 160.4
[M+Na]+ 281.12606 173.9
[M+NH4]+ 276.17066 168.7
[M+K]+ 297.10000 167.1
[M-H]- 257.12956 165.2
[M+Na-2H]- 279.11151 166.4
[M]+ 258.13629 163.6
[M]- 258.13739 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.