CID 216120

37124-10-0

Structural Information

Molecular Formula
C24H29NO2
SMILES
C1CCCN(CC1)CCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H29NO2/c26-23(27-18-17-25-15-9-1-2-10-16-25)22-19-24(22,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,22H,1-2,9-10,15-19H2
InChIKey
OIIISLKZBWYMRA-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl 2,2-diphenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.227096 185.4
[M+Na]+ 386.209038 187.9
[M-H]- 362.212544 195.6
[M+NH4]+ 381.253643 192.0
[M+K]+ 402.182978 188.1
[M+H-H2O]+ 346.217080 176.3
[M+HCOO]- 408.218021 201.8
[M+CH3COO]- 422.233671 193.0
[M+Na-2H]- 384.194486 186.6
[M]+ 363.21927142 181.5
[M]- 363.22036858 181.5
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.