CID 3057334

Wv 741

Structural Information

Molecular Formula
C16H20BrN3
SMILES
CN(C)CCN(CC1=CC=CC=C1Br)C2=CC=CC=N2
InChI
InChI=1S/C16H20BrN3/c1-19(2)11-12-20(16-9-5-6-10-18-16)13-14-7-3-4-8-15(14)17/h3-10H,11-13H2,1-2H3
InChIKey
IVWVYRSFZKDIAH-UHFFFAOYSA-N
Compound name
N'-[(2-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.08405 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09133 170.6
[M+Na]+ 356.07327 178.5
[M-H]- 332.07677 180.1
[M+NH4]+ 351.11787 187.1
[M+K]+ 372.04721 167.8
[M+H-H2O]+ 316.08131 166.8
[M+HCOO]- 378.08225 193.2
[M+CH3COO]- 392.09790 216.4
[M+Na-2H]- 354.05872 177.0
[M]+ 333.08350 190.7
[M]- 333.08460 190.7
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.