CID 2132

Ambroxol

Structural Information

Molecular Formula
C13H18Br2N2O
SMILES
C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O
InChI
InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2
InChIKey
JBDGDEWWOUBZPM-UHFFFAOYSA-N
Compound name
4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

849
References

16381
Patents

375.97858 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.98586 169.2
[M+Na]+ 398.96780 162.8
[M+NH4]+ 394.01240 170.8
[M+K]+ 414.94174 168.6
[M-H]- 374.97130 171.2
[M+Na-2H]- 396.95325 169.5
[M]+ 375.97803 167.6
[M]- 375.97913 167.6
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

patents stripe