CID 34172

Brn 1512765

Structural Information

Molecular Formula
C26H35NO3
SMILES
CCCC1(CCN(C1)CCCC2(OCCO2)C3=CC=CC=C3)C4=CC(=CC=C4)OC
InChI
InChI=1S/C26H35NO3/c1-3-13-25(23-11-7-12-24(20-23)28-2)15-17-27(21-25)16-8-14-26(29-18-19-30-26)22-9-5-4-6-10-22/h4-7,9-12,20H,3,8,13-19,21H2,1-2H3
InChIKey
KXEHVESTWOJWTC-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.2617 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.26898 200.3
[M+Na]+ 432.25092 203.9
[M-H]- 408.25442 211.7
[M+NH4]+ 427.29552 213.4
[M+K]+ 448.22486 201.5
[M+H-H2O]+ 392.25896 191.1
[M+HCOO]- 454.25990 216.6
[M+CH3COO]- 468.27555 209.2
[M+Na-2H]- 430.23637 198.9
[M]+ 409.26115 201.4
[M]- 409.26225 201.4
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.