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]+ 299.21178 175.4
[M+Na]+ 321.19372 179.8
[M-H]- 297.19722 179.9
[M+NH4]+ 316.23832 193.0
[M+K]+ 337.16766 174.8
[M+H-H2O]+ 281.20176 166.9
[M+HCOO]- 343.20270 188.6
[M+CH3COO]- 357.21835 184.5
[M+Na-2H]- 319.17917 172.1
[M]+ 298.20395 170.3
[M]- 298.20505 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.