CID 364610

Nsc631138

Structural Information

Molecular Formula
C10H7N5O2S2
SMILES
CN1C=NC(=C1SC2=NC3=C(S2)N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C10H7N5O2S2/c1-14-5-12-7(15(16)17)9(14)19-10-13-6-3-2-4-11-8(6)18-10/h2-5H,1H3
InChIKey
BSVOCIDPCXVXDZ-UHFFFAOYSA-N
Compound name
2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-[1,3]thiazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.00412 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.01140 157.9
[M+Na]+ 315.99334 170.3
[M-H]- 291.99684 162.9
[M+NH4]+ 311.03794 173.3
[M+K]+ 331.96728 161.3
[M+H-H2O]+ 276.00138 155.7
[M+HCOO]- 338.00232 172.3
[M+CH3COO]- 352.01797 192.0
[M+Na-2H]- 313.97879 161.9
[M]+ 293.00357 161.6
[M]- 293.00467 161.6
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.