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 154.2
[M+Na]+ 293.06789 164.2
[M+NH4]+ 288.11249 163.7
[M+K]+ 309.04183 161.0
[M-H]- 269.07139 158.2
[M+Na-2H]- 291.05334 161.2
[M]+ 270.07812 157.2
[M]- 270.07922 157.2
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.