CID 296442

Nsc166597

Structural Information

Molecular Formula
C11H11N5S
SMILES
CN(C)C1=NN2C(=NN=C2S1)C3=CC=CC=C3
InChI
InChI=1S/C11H11N5S/c1-15(2)11-14-16-9(12-13-10(16)17-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
HFSDSKJGHFMDON-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.07352 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08080 151.4
[M+Na]+ 268.06274 164.0
[M-H]- 244.06624 157.3
[M+NH4]+ 263.10734 169.7
[M+K]+ 284.03668 160.7
[M+H-H2O]+ 228.07078 143.2
[M+HCOO]- 290.07172 171.3
[M+CH3COO]- 304.08737 165.2
[M+Na-2H]- 266.04819 154.6
[M]+ 245.07297 157.6
[M]- 245.07407 157.6
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.