CID 162720

Beta-propylstreptozotocin

Structural Information

Molecular Formula
C11H21N3O7
SMILES
CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)N(C)N=O
InChI
InChI=1S/C11H21N3O7/c1-3-4-20-10-7(12-11(18)14(2)13-19)9(17)8(16)6(5-15)21-10/h6-10,15-17H,3-5H2,1-2H3,(H,12,18)/t6-,7-,8-,9-,10-/m1/s1
InChIKey
QPDOWPQMZIHMOJ-VVULQXIFSA-N
Compound name
3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]-1-methyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.13794 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14522 169.0
[M+Na]+ 330.12716 173.1
[M+NH4]+ 325.17176 171.6
[M+K]+ 346.10110 173.1
[M-H]- 306.13066 168.7
[M+Na-2H]- 328.11261 167.4
[M]+ 307.13739 168.6
[M]- 307.13849 168.6
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

No patent data available for this compound.