CID 49827

Vufb-10556

Structural Information

Molecular Formula
C19H26N2O
SMILES
CN1CCN(CC1)CC(=O)C2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C19H26N2O/c1-20-8-10-21(11-9-20)13-18(22)19-16-6-2-4-14(16)12-15-5-3-7-17(15)19/h12H,2-11,13H2,1H3
InChIKey
IWELUSNSWMWMTB-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.211776 175.4
[M+Na]+ 321.193718 179.8
[M-H]- 297.197224 179.9
[M+NH4]+ 316.238323 193.0
[M+K]+ 337.167658 174.8
[M+H-H2O]+ 281.201760 166.9
[M+HCOO]- 343.202701 188.6
[M+CH3COO]- 357.218351 184.5
[M+Na-2H]- 319.179166 172.1
[M]+ 298.20395142 170.3
[M]- 298.20504858 170.3
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.