CID 720574

328287-40-7

Structural Information

Molecular Formula
C12H13BrN2O3
SMILES
CC1=CC(=NO1)NCC2=C(C(=CC(=C2)Br)OC)O
InChI
InChI=1S/C12H13BrN2O3/c1-7-3-11(15-18-7)14-6-8-4-9(13)5-10(17-2)12(8)16/h3-5,16H,6H2,1-2H3,(H,14,15)
InChIKey
PZUDJWLCHKKDIB-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxy-6-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.01096 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01824 161.9
[M+Na]+ 335.00018 173.9
[M-H]- 311.00368 169.9
[M+NH4]+ 330.04478 179.0
[M+K]+ 350.97412 163.5
[M+H-H2O]+ 295.00822 160.2
[M+HCOO]- 357.00916 182.9
[M+CH3COO]- 371.02481 201.0
[M+Na-2H]- 332.98563 167.1
[M]+ 312.01041 183.7
[M]- 312.01151 183.7
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.