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]+ 248.21213 160.5
[M+Na]+ 270.19407 163.7
[M-H]- 246.19757 166.1
[M+NH4]+ 265.23867 177.9
[M+K]+ 286.16801 161.4
[M+H-H2O]+ 230.20211 151.4
[M+HCOO]- 292.20305 183.7
[M+CH3COO]- 306.21870 202.6
[M+Na-2H]- 268.17952 162.9
[M]+ 247.20430 158.5
[M]- 247.20540 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.