CID 129318364

Bromhexine n-oxide

Structural Information

Molecular Formula
C14H20Br2N2O
SMILES
C[N+](CC1=C(C(=CC(=C1)Br)Br)N)(C2CCCCC2)[O-]
InChI
InChI=1S/C14H20Br2N2O/c1-18(19,12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3
InChIKey
GQLOSIJWCOMKDT-UHFFFAOYSA-N
Compound name
N-[(2-amino-3,5-dibromophenyl)methyl]-N-methylcyclohexanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.99423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.00151 177.7
[M+Na]+ 412.98345 184.3
[M-H]- 388.98695 185.2
[M+NH4]+ 408.02805 192.8
[M+K]+ 428.95739 164.4
[M+H-H2O]+ 372.99149 187.1
[M+HCOO]- 434.99243 190.4
[M+CH3COO]- 449.00808 214.3
[M+Na-2H]- 410.96890 182.0
[M]+ 389.99368 206.5
[M]- 389.99478 206.5
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.