CID 121764

30122-47-5

Structural Information

Molecular Formula
C9H12N4O3S
SMILES
CC1C(OC(=N1)NC2=NC=C(S2)[N+](=O)[O-])(C)C
InChI
InChI=1S/C9H12N4O3S/c1-5-9(2,3)16-7(11-5)12-8-10-4-6(17-8)13(14)15/h4-5H,1-3H3,(H,10,11,12)
InChIKey
PMIAXZGCKWNUAL-UHFFFAOYSA-N
Compound name
4,5,5-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-4H-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

256.06302 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.070296 151.2
[M+Na]+ 279.052238 160.0
[M-H]- 255.055744 157.5
[M+NH4]+ 274.096843 169.5
[M+K]+ 295.026178 154.9
[M+H-H2O]+ 239.060280 149.8
[M+HCOO]- 301.061221 171.1
[M+CH3COO]- 315.076871 187.3
[M+Na-2H]- 277.037686 156.2
[M]+ 256.06247142 152.7
[M]- 256.06356858 152.7
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

patents stripe