CID 66545157

3-bromo-2-methoxy-5-methyl-1,6-naphthyridine

Structural Information

Molecular Formula
C10H9BrN2O
SMILES
CC1=NC=CC2=NC(=C(C=C12)Br)OC
InChI
InChI=1S/C10H9BrN2O/c1-6-7-5-8(11)10(14-2)13-9(7)3-4-12-6/h3-5H,1-2H3
InChIKey
VPIFKCOPBQCZGJ-UHFFFAOYSA-N
Compound name
3-bromo-2-methoxy-5-methyl-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.98982 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99710 143.9
[M+Na]+ 274.97904 157.8
[M-H]- 250.98254 149.2
[M+NH4]+ 270.02364 163.9
[M+K]+ 290.95298 146.8
[M+H-H2O]+ 234.98708 143.2
[M+HCOO]- 296.98802 163.3
[M+CH3COO]- 311.00367 192.4
[M+Na-2H]- 272.96449 153.7
[M]+ 251.98927 165.1
[M]- 251.99037 165.1
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.