CID 453053

133671-48-4

Structural Information

Molecular Formula
C19H20BrN3
SMILES
CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H20BrN3/c1-23(2)12-11-21-19-13-18(14-7-9-15(20)10-8-14)22-17-6-4-3-5-16(17)19/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKey
QDEMCBGBMLZPKX-UHFFFAOYSA-N
Compound name
N-[2-(4-bromophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.08405 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.09133 180.4
[M+Na]+ 392.07327 189.6
[M-H]- 368.07677 189.7
[M+NH4]+ 387.11787 196.1
[M+K]+ 408.04721 176.9
[M+H-H2O]+ 352.08131 176.7
[M+HCOO]- 414.08225 201.2
[M+CH3COO]- 428.09790 192.5
[M+Na-2H]- 390.05872 187.4
[M]+ 369.08350 199.7
[M]- 369.08460 199.7
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.