CID 3069960

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

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC(C(=O)NC1=C2CCCC2=CC3=C1CCC3)N4CCOCC4
InChI
InChI=1S/C19H26N2O2/c1-13(21-8-10-23-11-9-21)19(22)20-18-16-6-2-4-14(16)12-15-5-3-7-17(15)18/h12-13H,2-11H2,1H3,(H,20,22)
InChIKey
JADBWJCNOZTILT-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.206706 175.9
[M+Na]+ 337.188648 178.2
[M-H]- 313.192154 182.0
[M+NH4]+ 332.233253 192.3
[M+K]+ 353.162588 175.5
[M+H-H2O]+ 297.196690 168.5
[M+HCOO]- 359.197631 189.8
[M+CH3COO]- 373.213281 184.9
[M+Na-2H]- 335.174096 174.0
[M]+ 314.19888142 170.7
[M]- 314.19997858 170.7
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.