CID 123628

Glufosfamide

Structural Information

Molecular Formula
C10H21Cl2N2O7P
SMILES
C(CCl)NP(=O)(NCCCl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1
InChIKey
PSVUJBVBCOISSP-SPFKKGSWSA-N
Compound name
(2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

34
References

10910
Patents

382.04636 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05364 178.7
[M+Na]+ 405.03558 183.5
[M+NH4]+ 400.08018 181.1
[M+K]+ 421.00952 182.5
[M-H]- 381.03908 176.2
[M+Na-2H]- 403.02103 176.1
[M]+ 382.04581 178.4
[M]- 382.04691 178.4
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