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]+ 252.013086 145.4
[M+Na]+ 273.995028 157.4
[M-H]- 249.998534 151.2
[M+NH4]+ 269.039633 165.5
[M+K]+ 289.968968 144.9
[M+H-H2O]+ 234.003070 143.9
[M+HCOO]- 296.004011 166.9
[M+CH3COO]- 310.019661 159.9
[M+Na-2H]- 271.980476 154.5
[M]+ 251.00526142 162.2
[M]- 251.00635858 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.