CID 3058222

Nsc 266514

Structural Information

Molecular Formula
C15H22ClN3O9
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H22ClN3O9/c1-7-12(26-8(2)20)13(27-9(3)21)11(14(25-7)28-10(4)22)17-15(23)19(18-24)6-5-16/h7,11-14H,5-6H2,1-4H3,(H,17,23)/t7-,11-,12-,13-,14-/m1/s1
InChIKey
SCJPIULIASRFNK-ODTJPNJJSA-N
Compound name
[(2R,3R,4R,5R,6R)-4,6-diacetyloxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methyloxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.10446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.11174 189.2
[M+Na]+ 446.09368 193.1
[M-H]- 422.09718 195.8
[M+NH4]+ 441.13828 199.2
[M+K]+ 462.06762 196.6
[M+H-H2O]+ 406.10172 182.6
[M+HCOO]- 468.10266 206.2
[M+CH3COO]- 482.11831 236.4
[M+Na-2H]- 444.07913 187.1
[M]+ 423.10391 199.0
[M]- 423.10501 199.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.