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
7
Annotation Hits

852
References

19066
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 166.1
[M+Na]+ 398.96780 172.8
[M-H]- 374.97130 172.5
[M+NH4]+ 394.01240 181.0
[M+K]+ 414.94174 155.7
[M+H-H2O]+ 358.97584 171.4
[M+HCOO]- 420.97678 178.6
[M+CH3COO]- 434.99243 216.7
[M+Na-2H]- 396.95325 168.4
[M]+ 375.97803 194.1
[M]- 375.97913 194.1
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