CID 3024400

Vufb-3426

Structural Information

Molecular Formula
C17H22BrN3
SMILES
CC(C1=CC=C(C=C1)Br)N(CCN(C)C)C2=CC=CC=N2
InChI
InChI=1S/C17H22BrN3/c1-14(15-7-9-16(18)10-8-15)21(13-12-20(2)3)17-6-4-5-11-19-17/h4-11,14H,12-13H2,1-3H3
InChIKey
JTJVYGMSIYTXTJ-UHFFFAOYSA-N
Compound name
N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0997 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.106976 175.7
[M+Na]+ 370.088918 182.9
[M-H]- 346.092424 185.1
[M+NH4]+ 365.133523 191.5
[M+K]+ 386.062858 172.4
[M+H-H2O]+ 330.096960 171.8
[M+HCOO]- 392.097901 197.0
[M+CH3COO]- 406.113551 220.0
[M+Na-2H]- 368.074366 180.4
[M]+ 347.09915142 195.5
[M]- 347.10024858 195.5
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.