CID 125514423

8-bromo-n4-methylquinoline-3,4-diamine

Structural Information

Molecular Formula
C10H10BrN3
SMILES
CNC1=C2C=CC=C(C2=NC=C1N)Br
InChI
InChI=1S/C10H10BrN3/c1-13-10-6-3-2-4-7(11)9(6)14-5-8(10)12/h2-5H,12H2,1H3,(H,13,14)
InChIKey
YOADTAJFSVSHGS-UHFFFAOYSA-N
Compound name
8-bromo-4-N-methylquinoline-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.00581 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01309 145.4
[M+Na]+ 273.99503 157.4
[M-H]- 249.99853 151.2
[M+NH4]+ 269.03963 165.5
[M+K]+ 289.96897 144.9
[M+H-H2O]+ 234.00307 143.9
[M+HCOO]- 296.00401 166.9
[M+CH3COO]- 310.01966 159.9
[M+Na-2H]- 271.98048 154.5
[M]+ 251.00526 162.2
[M]- 251.00636 162.2
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.