CID 24903729

5-bromo-n4-ethylpyridine-3,4-diamine

Structural Information

Molecular Formula
C7H10BrN3
SMILES
CCNC1=C(C=NC=C1N)Br
InChI
InChI=1S/C7H10BrN3/c1-2-11-7-5(8)3-10-4-6(7)9/h3-4H,2,9H2,1H3,(H,10,11)
InChIKey
GMVUJEJUOUSPCP-UHFFFAOYSA-N
Compound name
5-bromo-4-N-ethylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

215.00581 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.013086 136.5
[M+Na]+ 237.995028 147.7
[M-H]- 213.998534 141.3
[M+NH4]+ 233.039633 156.8
[M+K]+ 253.968968 136.0
[M+H-H2O]+ 198.003070 135.0
[M+HCOO]- 260.004011 159.0
[M+CH3COO]- 274.019661 189.3
[M+Na-2H]- 235.980476 144.8
[M]+ 215.00526142 152.9
[M]- 215.00635858 152.9
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

patents stripe