CID 3057333

74037-39-1

Structural Information

Molecular Formula
C18H24BrN3
SMILES
CCN(CC)CCN(CC1=CC=C(C=C1)Br)C2=CC=CC=N2
InChI
InChI=1S/C18H24BrN3/c1-3-21(4-2)13-14-22(18-7-5-6-12-20-18)15-16-8-10-17(19)11-9-16/h5-12H,3-4,13-15H2,1-2H3
InChIKey
AQNWIRZEJXNCLA-UHFFFAOYSA-N
Compound name
N'-[(4-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.11536 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12264 177.3
[M+Na]+ 384.10458 180.7
[M+NH4]+ 379.14918 182.0
[M+K]+ 400.07852 178.6
[M-H]- 360.10808 181.3
[M+Na-2H]- 382.09003 183.1
[M]+ 361.11481 177.8
[M]- 361.11591 177.8
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.