CID 36611

33855-47-9

Structural Information

Molecular Formula
C17H22BrN3
SMILES
CCN(C)CCN(CC1=CC=C(C=C1)Br)C2=CC=CC=N2
InChI
InChI=1S/C17H22BrN3/c1-3-20(2)12-13-21(17-6-4-5-11-19-17)14-15-7-9-16(18)10-8-15/h4-11H,3,12-14H2,1-2H3
InChIKey
CVDWZZYMAPXHMF-UHFFFAOYSA-N
Compound name
N'-[(4-bromophenyl)methyl]-N-ethyl-N-methyl-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

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10698 175.2
[M+Na]+ 370.08892 182.6
[M-H]- 346.09242 184.5
[M+NH4]+ 365.13352 191.1
[M+K]+ 386.06286 171.7
[M+H-H2O]+ 330.09696 171.2
[M+HCOO]- 392.09790 197.4
[M+CH3COO]- 406.11355 219.2
[M+Na-2H]- 368.07437 181.0
[M]+ 347.09915 195.6
[M]- 347.10025 195.6
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.