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]+ 256.18083 161.2
[M+Na]+ 278.16277 165.5
[M-H]- 254.16627 168.4
[M+NH4]+ 273.20737 176.9
[M+K]+ 294.13671 163.5
[M+H-H2O]+ 238.17081 151.3
[M+HCOO]- 300.17175 186.6
[M+CH3COO]- 314.18740 207.3
[M+Na-2H]- 276.14822 167.7
[M]+ 255.17300 162.6
[M]- 255.17410 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.