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 151.1
[M+Na]+ 277.04782 158.6
[M-H]- 253.05132 156.6
[M+NH4]+ 272.09242 167.5
[M+K]+ 293.02176 152.3
[M+H-H2O]+ 237.05586 146.9
[M+HCOO]- 299.05680 173.3
[M+CH3COO]- 313.07245 190.2
[M+Na-2H]- 275.03327 156.0
[M]+ 254.05805 150.3
[M]- 254.05915 150.3
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.