CID 3069965

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-4-morpholinepropanamide hydrochloride

Structural Information

Molecular Formula
C19H26N2O2
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)NC(=O)CCN4CCOCC4
InChI
InChI=1S/C19H26N2O2/c22-18(7-8-21-9-11-23-12-10-21)20-19-16-5-1-3-14(16)13-15-4-2-6-17(15)19/h13H,1-12H2,(H,20,22)
InChIKey
LGOYOBOAGUIESZ-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-morpholin-4-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 175.0
[M+Na]+ 337.18865 177.7
[M-H]- 313.19215 181.1
[M+NH4]+ 332.23325 191.5
[M+K]+ 353.16259 174.4
[M+H-H2O]+ 297.19669 167.4
[M+HCOO]- 359.19763 189.9
[M+CH3COO]- 373.21328 184.2
[M+Na-2H]- 335.17410 174.3
[M]+ 314.19888 170.4
[M]- 314.19998 170.4
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.