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
Annotation Hits

0
References

0
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 165.0
[M+Na]+ 284.20972 167.8
[M-H]- 260.21322 170.4
[M+NH4]+ 279.25432 181.8
[M+K]+ 300.18366 165.2
[M+H-H2O]+ 244.21776 155.7
[M+HCOO]- 306.21870 187.8
[M+CH3COO]- 320.23435 205.6
[M+Na-2H]- 282.19517 166.9
[M]+ 261.21995 163.4
[M]- 261.22105 163.4
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.