CID 91146

Brn 5389700

Structural Information

Molecular Formula
C10H14N4O3S
SMILES
CC1(C(OC(=N1)NC2=NC=C(S2)[N+](=O)[O-])(C)C)C
InChI
InChI=1S/C10H14N4O3S/c1-9(2)10(3,4)17-7(13-9)12-8-11-5-6(18-8)14(15)16/h5H,1-4H3,(H,11,12,13)
InChIKey
BMKUWMJGWIUSDY-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07867 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08595 151.8
[M+Na]+ 293.06789 160.9
[M-H]- 269.07139 158.1
[M+NH4]+ 288.11249 171.5
[M+K]+ 309.04183 156.1
[M+H-H2O]+ 253.07593 151.3
[M+HCOO]- 315.07687 171.4
[M+CH3COO]- 329.09252 189.9
[M+Na-2H]- 291.05334 158.3
[M]+ 270.07812 154.2
[M]- 270.07922 154.2
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.