CID 9588333

Brn 4512563

Structural Information

Molecular Formula
C8H10N6O2S
SMILES
CN1C(=CN=C1/C=N/NC2=NCCS2)[N+](=O)[O-]
InChI
InChI=1S/C8H10N6O2S/c1-13-6(10-5-7(13)14(15)16)4-11-12-8-9-2-3-17-8/h4-5H,2-3H2,1H3,(H,9,12)/b11-4+
InChIKey
OXLJNRGISZZRAU-NYYWCZLTSA-N
Compound name
N-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0586 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06588 150.1
[M+Na]+ 277.04782 159.2
[M+NH4]+ 272.09242 156.5
[M+K]+ 293.02176 159.0
[M-H]- 253.05132 153.2
[M+Na-2H]- 275.03327 155.1
[M]+ 254.05805 152.0
[M]- 254.05915 152.0
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.