CID 3051484

N-(4,4-diphenyl-6-morpholino-3-hexylidene)propionamide hydrochloride

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CCC(=NC(=O)CC)C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H32N2O2/c1-3-23(26-24(28)4-2)25(21-11-7-5-8-12-21,22-13-9-6-10-14-22)15-16-27-17-19-29-20-18-27/h5-14H,3-4,15-20H2,1-2H3
InChIKey
HKNHXVHMWWYBMW-UHFFFAOYSA-N
Compound name
N-(6-morpholin-4-yl-4,4-diphenylhexan-3-ylidene)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.24637 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.253646 199.7
[M+Na]+ 415.235588 199.6
[M-H]- 391.239094 207.2
[M+NH4]+ 410.280193 207.0
[M+K]+ 431.209528 196.3
[M+H-H2O]+ 375.243630 188.3
[M+HCOO]- 437.244571 214.7
[M+CH3COO]- 451.260221 225.1
[M+Na-2H]- 413.221036 201.4
[M]+ 392.24582142 197.2
[M]- 392.24691858 197.2
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.