CID 3649947

5-bromo-4,6-dimethyl-3-nitro-2-pyridinylamine

Structural Information

Molecular Formula
C7H8BrN3O2
SMILES
CC1=C(C(=NC(=C1Br)C)N)[N+](=O)[O-]
InChI
InChI=1S/C7H8BrN3O2/c1-3-5(8)4(2)10-7(9)6(3)11(12)13/h1-2H3,(H2,9,10)
InChIKey
AWUOLSBKAQIADQ-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dimethyl-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

244.98 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.98728 142.0
[M+Na]+ 267.96922 154.5
[M-H]- 243.97272 147.6
[M+NH4]+ 263.01382 161.2
[M+K]+ 283.94316 139.4
[M+H-H2O]+ 227.97726 145.0
[M+HCOO]- 289.97820 164.7
[M+CH3COO]- 303.99385 188.0
[M+Na-2H]- 265.95467 149.6
[M]+ 244.97945 159.4
[M]- 244.98055 159.4
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