CID 33849

N,n-dimethyl-n'-phenyl-n'-(2-picolyl)ethylenediamine hydrochloride

Structural Information

Molecular Formula
C16H21N3
SMILES
CN(C)CCN(CC1=CC=CC=N1)C2=CC=CC=C2
InChI
InChI=1S/C16H21N3/c1-18(2)12-13-19(16-9-4-3-5-10-16)14-15-8-6-7-11-17-15/h3-11H,12-14H2,1-2H3
InChIKey
NBTBNWFLPHLIIW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-phenyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.17355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.180826 161.2
[M+Na]+ 278.162768 165.5
[M-H]- 254.166274 168.4
[M+NH4]+ 273.207373 176.9
[M+K]+ 294.136708 163.5
[M+H-H2O]+ 238.170810 151.3
[M+HCOO]- 300.171751 186.6
[M+CH3COO]- 314.187401 207.3
[M+Na-2H]- 276.148216 167.7
[M]+ 255.17300142 162.6
[M]- 255.17409858 162.6
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.