CID 373693

Nsc650585

Structural Information

Molecular Formula
C11H6N6S2
SMILES
C1=CC=C(C=C1)N2C3=NC=NC(=C3SC2=S)N=[N+]=[N-]
InChI
InChI=1S/C11H6N6S2/c12-16-15-9-8-10(14-6-13-9)17(11(18)19-8)7-4-2-1-3-5-7/h1-6H
InChIKey
WTYLMBWFTMMHLP-UHFFFAOYSA-N
Compound name
7-azido-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.00952 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.01680 154.9
[M+Na]+ 308.99874 167.2
[M-H]- 285.00224 162.5
[M+NH4]+ 304.04334 170.6
[M+K]+ 324.97268 155.3
[M+H-H2O]+ 269.00678 150.8
[M+HCOO]- 331.00772 174.5
[M+CH3COO]- 345.02337 199.3
[M+Na-2H]- 306.98419 163.7
[M]+ 286.00897 155.8
[M]- 286.01007 155.8
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

No patent data available for this compound.