CID 3072404

(+-)-n,n-dimethyl-n'-((1-phenyl-2-pyrrolidinyl)methyl)-1,3-propanediamine dihydrochloride

Structural Information

Molecular Formula
C16H27N3
SMILES
CN(C)CCCNCC1CCCN1C2=CC=CC=C2
InChI
InChI=1S/C16H27N3/c1-18(2)12-7-11-17-14-16-10-6-13-19(16)15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3
InChIKey
JRWSNPDSAFDSBD-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

261.2205 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.22778 166.3
[M+Na]+ 284.20972 175.7
[M+NH4]+ 279.25432 174.6
[M+K]+ 300.18366 169.9
[M-H]- 260.21322 171.0
[M+Na-2H]- 282.19517 172.7
[M]+ 261.21995 168.7
[M]- 261.22105 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.