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]+ 357.25365 186.9
[M+Na]+ 379.23559 188.5
[M-H]- 355.23909 194.3
[M+NH4]+ 374.28019 198.7
[M+K]+ 395.20953 185.3
[M+H-H2O]+ 339.24363 177.4
[M+HCOO]- 401.24457 195.2
[M+CH3COO]- 415.26022 194.2
[M+Na-2H]- 377.22104 182.7
[M]+ 356.24582 179.7
[M]- 356.24692 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.