CID 127263630

2-benzyloxy-3-bromo-pyridin-4-amine

Structural Information

Molecular Formula
C12H11BrN2O
SMILES
C1=CC=C(C=C1)COC2=NC=CC(=C2Br)N
InChI
InChI=1S/C12H11BrN2O/c13-11-10(14)6-7-15-12(11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKey
QNOPCSZTFWBLQV-UHFFFAOYSA-N
Compound name
3-bromo-2-phenylmethoxypyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0055 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.01278 152.4
[M+Na]+ 300.99472 163.4
[M-H]- 276.99822 159.9
[M+NH4]+ 296.03932 170.3
[M+K]+ 316.96866 151.4
[M+H-H2O]+ 261.00276 150.5
[M+HCOO]- 323.00370 174.1
[M+CH3COO]- 337.01935 196.7
[M+Na-2H]- 298.98017 160.3
[M]+ 278.00495 170.4
[M]- 278.00605 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.