CID 33853

Ethylenediamine, n,n-diethyl-n'-(p-methoxyphenyl)-n'-(2-pyridylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H27N3O
SMILES
CCN(CC)CCN(CC1=CC=CC=N1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H27N3O/c1-4-21(5-2)14-15-22(16-17-8-6-7-13-20-17)18-9-11-19(23-3)12-10-18/h6-13H,4-5,14-16H2,1-3H3
InChIKey
CPBVYRBCZWSCQC-UHFFFAOYSA-N
Compound name
N,N-diethyl-N'-(4-methoxyphenyl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 178.5
[M+Na]+ 336.20464 182.2
[M-H]- 312.20814 185.4
[M+NH4]+ 331.24924 192.0
[M+K]+ 352.17858 180.1
[M+H-H2O]+ 296.21268 167.8
[M+HCOO]- 358.21362 203.0
[M+CH3COO]- 372.22927 219.3
[M+Na-2H]- 334.19009 182.5
[M]+ 313.21487 182.6
[M]- 313.21597 182.6
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.