CID 443385

Clindamycin phosphate

Structural Information

Molecular Formula
C18H34ClN2O8PS
SMILES
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@H](C)Cl
InChI
InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1
InChIKey
UFUVLHLTWXBHGZ-MGZQPHGTSA-N
Compound name
[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

176
References

8931
Patents

504.1462 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.15348 208.1
[M+Na]+ 527.13542 208.1
[M-H]- 503.13892 206.8
[M+NH4]+ 522.18002 212.9
[M+K]+ 543.10936 207.0
[M+H-H2O]+ 487.14346 201.6
[M+HCOO]- 549.14440 211.0
[M+CH3COO]- 563.16005 235.0
[M+Na-2H]- 525.12087 198.8
[M]+ 504.14565 210.6
[M]- 504.14675 210.6
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