CID 216112

39123-13-2

Structural Information

Molecular Formula
C24H29NO3
SMILES
C1CCN(C1)CCOCCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H29NO3/c26-23(28-18-17-27-16-15-25-13-7-8-14-25)22-19-24(22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2
InChIKey
HCJPIMHTHBBDIX-UHFFFAOYSA-N
Compound name
2-(2-pyrrolidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22203 191.4
[M+Na]+ 402.20397 196.1
[M-H]- 378.20747 201.6
[M+NH4]+ 397.24857 199.8
[M+K]+ 418.17791 192.0
[M+H-H2O]+ 362.21201 182.0
[M+HCOO]- 424.21295 210.5
[M+CH3COO]- 438.22860 217.2
[M+Na-2H]- 400.18942 191.4
[M]+ 379.21420 194.1
[M]- 379.21530 194.1
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

patents stripe