CID 3021255

2-(morpholinomethyl)-3-phenyl-4,5,6,7-tetrahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C20H25NO2
SMILES
C1CCC2=C(C1)C(C(C2=O)CN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C20H25NO2/c22-20-17-9-5-4-8-16(17)19(15-6-2-1-3-7-15)18(20)14-21-10-12-23-13-11-21/h1-3,6-7,18-19H,4-5,8-14H2
InChIKey
ICDQWUQRIJDBKG-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-3-phenyl-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 175.4
[M+Na]+ 334.17776 178.8
[M-H]- 310.18126 183.4
[M+NH4]+ 329.22236 189.2
[M+K]+ 350.15170 174.8
[M+H-H2O]+ 294.18580 166.0
[M+HCOO]- 356.18674 189.2
[M+CH3COO]- 370.20239 184.6
[M+Na-2H]- 332.16321 174.9
[M]+ 311.18799 169.0
[M]- 311.18909 169.0
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.