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

0
Patents

256.06302 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07030 151.2
[M+Na]+ 279.05224 160.0
[M-H]- 255.05574 157.5
[M+NH4]+ 274.09684 169.5
[M+K]+ 295.02618 154.9
[M+H-H2O]+ 239.06028 149.8
[M+HCOO]- 301.06122 171.1
[M+CH3COO]- 315.07687 187.3
[M+Na-2H]- 277.03769 156.2
[M]+ 256.06247 152.7
[M]- 256.06357 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