CID 44823

Hexane, 3-propionoxy-4,4-diphenyl-6-morpholino-, hydrochloride

Structural Information

Molecular Formula
C25H35NO2
SMILES
CCCOC(CC)C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H35NO2/c1-3-19-28-24(4-2)25(22-11-7-5-8-12-22,23-13-9-6-10-14-23)15-16-26-17-20-27-21-18-26/h5-14,24H,3-4,15-21H2,1-2H3
InChIKey
HQKOFTIIYDTPQS-UHFFFAOYSA-N
Compound name
4-(3,3-diphenyl-4-propoxyhexyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.26678 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.27406 198.0
[M+Na]+ 404.25600 197.9
[M-H]- 380.25950 204.0
[M+NH4]+ 399.30060 205.5
[M+K]+ 420.22994 194.4
[M+H-H2O]+ 364.26404 186.8
[M+HCOO]- 426.26498 211.0
[M+CH3COO]- 440.28063 219.6
[M+Na-2H]- 402.24145 199.8
[M]+ 381.26623 196.4
[M]- 381.26733 196.4
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.