CID 1032683

Vufb-10645

Structural Information

Molecular Formula
C22H32N2O2
SMILES
C1CC2=C(C1)C(=C3CCCC3=C2CN4CCOCC4)CN5CCOCC5
InChI
InChI=1S/C22H32N2O2/c1-3-17-18(4-1)22(16-24-9-13-26-14-10-24)20-6-2-5-19(20)21(17)15-23-7-11-25-12-8-23/h1-16H2
InChIKey
AEGITEIJXLRZQB-UHFFFAOYSA-N
Compound name
4-[[8-(morpholin-4-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.24637 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.253646 186.9
[M+Na]+ 379.235588 188.5
[M-H]- 355.239094 194.3
[M+NH4]+ 374.280193 198.7
[M+K]+ 395.209528 185.3
[M+H-H2O]+ 339.243630 177.4
[M+HCOO]- 401.244571 195.2
[M+CH3COO]- 415.260221 194.2
[M+Na-2H]- 377.221036 182.7
[M]+ 356.24582142 179.7
[M]- 356.24691858 179.7
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.