PubChemLite - Streptozocin (C8H15N3O7)

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.09828	156.4
[M+Na]+	288.08022	160.6
[M+NH4]+	283.12482	159.1
[M+K]+	304.05416	161.5
[M-H]-	264.08372	155.7
[M+Na-2H]-	286.06567	154.9
[M]+	265.09045	155.8
[M]-	265.09155	155.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

266.09828

156.4

[M+Na]+

288.08022

160.6

[M+NH4]+

283.12482

159.1

[M+K]+

304.05416

161.5

[M-H]-

264.08372

155.7

[M+Na-2H]-

286.06567

154.9

[M]+

265.09045

155.8

[M]-

265.09155

155.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Streptozocin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe