CID 68122

Histapyrrodine

Structural Information

Molecular Formula
C19H24N2
SMILES
C1CCN(C1)CCN(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2/c1-3-9-18(10-4-1)17-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-20/h1-6,9-12H,7-8,13-17H2
InChIKey
MXHODDGKGSGCDI-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

604
Patents

280.19394 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 167.9
[M+Na]+ 303.183158 170.7
[M-H]- 279.186664 176.0
[M+NH4]+ 298.227763 183.4
[M+K]+ 319.157098 166.6
[M+H-H2O]+ 263.191200 157.6
[M+HCOO]- 325.192141 190.1
[M+CH3COO]- 339.207791 178.3
[M+Na-2H]- 301.168606 170.7
[M]+ 280.19339142 165.0
[M]- 280.19448858 165.0
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