CID 3072598

(+-)-n,n-dimethyl-n'-((1-phenyl-2-pyrrolidinyl)methyl)-1,2-ethanediamine dihydrochloride

Structural Information

Molecular Formula
C15H25N3
SMILES
CN(C)CCNCC1CCCN1C2=CC=CC=C2
InChI
InChI=1S/C15H25N3/c1-17(2)12-10-16-13-15-9-6-11-18(15)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3
InChIKey
HBZHAHTUNUWEHC-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.20485 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.212126 160.5
[M+Na]+ 270.194068 163.7
[M-H]- 246.197574 166.1
[M+NH4]+ 265.238673 177.9
[M+K]+ 286.168008 161.4
[M+H-H2O]+ 230.202110 151.4
[M+HCOO]- 292.203051 183.7
[M+CH3COO]- 306.218701 202.6
[M+Na-2H]- 268.179516 162.9
[M]+ 247.20430142 158.5
[M]- 247.20539858 158.5
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.