CID 379416

N'-(5,7-dibromo-2,1,3-benzoxadiazol-4-yl)-n,n-dimethylimidoformamide

Structural Information

Molecular Formula
C9H8Br2N4O
SMILES
CN(C)C=NC1=C(C=C(C2=NON=C12)Br)Br
InChI
InChI=1S/C9H8Br2N4O/c1-15(2)4-12-7-5(10)3-6(11)8-9(7)14-16-13-8/h3-4H,1-2H3
InChIKey
ZTXGNJINSKGESD-UHFFFAOYSA-N
Compound name
N'-(5,7-dibromo-2,1,3-benzoxadiazol-4-yl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

345.9065 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.91378 148.4
[M+Na]+ 368.89572 161.0
[M-H]- 344.89922 157.1
[M+NH4]+ 363.94032 166.1
[M+K]+ 384.86966 147.3
[M+H-H2O]+ 328.90376 154.3
[M+HCOO]- 390.90470 167.3
[M+CH3COO]- 404.92035 216.6
[M+Na-2H]- 366.88117 157.2
[M]+ 345.90595 186.7
[M]- 345.90705 186.7
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.