CID 65891

Galamustine hydrochloride

Structural Information

Molecular Formula
C10H19Cl2NO5
SMILES
C(CCl)N(CCCl)C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O
InChI
InChI=1S/C10H19Cl2NO5/c11-1-3-13(4-2-12)5-6-7(14)8(15)9(16)10(17)18-6/h6-10,14-17H,1-5H2/t6-,7+,8+,9-,10?/m1/s1
InChIKey
COKGUJJIBXWRNV-CYNREMDZSA-N
Compound name
(3R,4S,5R,6R)-6-[bis(2-chloroethyl)aminomethyl]oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

211
Patents

303.06403 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07131 163.3
[M+Na]+ 326.05325 169.2
[M-H]- 302.05675 162.8
[M+NH4]+ 321.09785 176.6
[M+K]+ 342.02719 165.9
[M+H-H2O]+ 286.06129 160.0
[M+HCOO]- 348.06223 169.5
[M+CH3COO]- 362.07788 197.8
[M+Na-2H]- 324.03870 163.1
[M]+ 303.06348 164.9
[M]- 303.06458 164.9
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