CID 216137

37124-21-3

Structural Information

Molecular Formula
C26H33NO3
SMILES
C1CCCN(CC1)CCOCCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H33NO3/c28-25(30-20-19-29-18-17-27-15-9-1-2-10-16-27)24-21-26(24,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,24H,1-2,9-10,15-21H2
InChIKey
OVLZNGXAFGMPAF-UHFFFAOYSA-N
Compound name
2-[2-(azepan-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.24603 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.25331 196.5
[M+Na]+ 430.23525 197.9
[M-H]- 406.23875 206.2
[M+NH4]+ 425.27985 201.3
[M+K]+ 446.20919 198.4
[M+H-H2O]+ 390.24329 186.9
[M+HCOO]- 452.24423 212.2
[M+CH3COO]- 466.25988 203.0
[M+Na-2H]- 428.22070 196.7
[M]+ 407.24548 194.4
[M]- 407.24658 194.4
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.