CID 3039319

Usaf k-1351

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
CC1=CC(NC(=S)N1C2=CC=CC=C2[N+](=O)[O-])(C)C
InChI
InChI=1S/C13H15N3O2S/c1-9-8-13(2,3)14-12(19)15(9)10-6-4-5-7-11(10)16(17)18/h4-8H,1-3H3,(H,14,19)
InChIKey
XIZVGHGAGIWVAW-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3-(2-nitrophenyl)-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0885 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09578 159.4
[M+Na]+ 300.07772 173.1
[M+NH4]+ 295.12232 168.2
[M+K]+ 316.05166 165.5
[M-H]- 276.08122 163.4
[M+Na-2H]- 298.06317 167.0
[M]+ 277.08795 163.0
[M]- 277.08905 163.0
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.