CID 3051145

67293-26-9

Structural Information

Molecular Formula
C30H37NO3
SMILES
CCN(CCCCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(C)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C30H37NO3/c1-4-31(24(2)23-25-17-19-28(33-3)20-18-25)21-11-12-22-34-30(32)29(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-20,24,29H,4,11-12,21-23H2,1-3H3
InChIKey
QRWXIZGPDSZWBV-UHFFFAOYSA-N
Compound name
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.27734 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.28462 220.1
[M+Na]+ 482.26656 219.9
[M-H]- 458.27006 228.6
[M+NH4]+ 477.31116 227.3
[M+K]+ 498.24050 216.2
[M+H-H2O]+ 442.27460 208.1
[M+HCOO]- 504.27554 239.2
[M+CH3COO]- 518.29119 241.5
[M+Na-2H]- 480.25201 217.2
[M]+ 459.27679 224.0
[M]- 459.27789 224.0
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.