CID 97302

Gcnu

Structural Information

Molecular Formula
C17H24ClN3O11
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C17H24ClN3O11/c1-8(22)28-7-12-14(29-9(2)23)15(30-10(3)24)13(16(32-12)31-11(4)25)19-17(26)21(20-27)6-5-18/h12-16H,5-7H2,1-4H3,(H,19,26)/t12-,13-,14-,15-,16?/m1/s1
InChIKey
GKFKUZBTGYKBFS-XIHUBIEQSA-N
Compound name
[(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

481.10992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.11720 198.3
[M+Na]+ 504.09914 231.6
[M+NH4]+ 499.14374 231.3
[M+K]+ 520.07308 227.3
[M-H]- 480.10264 231.8
[M+Na-2H]- 502.08459 194.5
[M]+ 481.10937 227.8
[M]- 481.11047 227.8
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