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 160.2
[M+Na]+ 281.12606 165.6
[M-H]- 257.12956 164.5
[M+NH4]+ 276.17066 173.4
[M+K]+ 297.10000 163.1
[M+H-H2O]+ 241.13410 150.6
[M+HCOO]- 303.13504 174.2
[M+CH3COO]- 317.15069 170.4
[M+Na-2H]- 279.11151 164.7
[M]+ 258.13629 156.3
[M]- 258.13739 156.3
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.