CID 20206247

Alverine citrate impurity e

Structural Information

Molecular Formula
C27H33N
SMILES
C1=CC=C(C=C1)CCCN(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3
InChI
InChI=1S/C27H33N/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h1-9,13-18H,10-12,19-24H2
InChIKey
GNVPWZYSAKXMIR-UHFFFAOYSA-N
Compound name
3-phenyl-N,N-bis(3-phenylpropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

371.2613 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.26858 199.5
[M+Na]+ 394.25052 214.7
[M+NH4]+ 389.29512 208.9
[M+K]+ 410.22446 202.1
[M-H]- 370.25402 208.5
[M+Na-2H]- 392.23597 211.7
[M]+ 371.26075 204.6
[M]- 371.26185 204.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe