CID 29327

Streptozocin

Structural Information

Molecular Formula
C8H15N3O7
SMILES
CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=O
InChI
InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1
InChIKey
ZSJLQEPLLKMAKR-GKHCUFPYSA-N
Compound name
1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

18313
References

44069
Patents

265.091 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09828 154.3
[M+Na]+ 288.08022 158.7
[M-H]- 264.08372 156.0
[M+NH4]+ 283.12482 167.2
[M+K]+ 304.05416 160.8
[M+H-H2O]+ 248.08826 147.4
[M+HCOO]- 310.08920 173.5
[M+CH3COO]- 324.10485 200.2
[M+Na-2H]- 286.06567 156.2
[M]+ 265.09045 153.0
[M]- 265.09155 153.0
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