CID 374733

Nsc652925

Structural Information

Molecular Formula
C11H10N4S
SMILES
CCN1C=NN=C1C2=NSC3=CC=CC=C32
InChI
InChI=1S/C11H10N4S/c1-2-15-7-12-13-11(15)10-8-5-3-4-6-9(8)16-14-10/h3-7H,2H2,1H3
InChIKey
VIEDSAGGHWDGTE-UHFFFAOYSA-N
Compound name
3-(4-ethyl-1,2,4-triazol-3-yl)-1,2-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06262 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06990 147.9
[M+Na]+ 253.05184 161.5
[M-H]- 229.05534 152.4
[M+NH4]+ 248.09644 166.7
[M+K]+ 269.02578 157.1
[M+H-H2O]+ 213.05988 140.3
[M+HCOO]- 275.06082 166.5
[M+CH3COO]- 289.07647 161.8
[M+Na-2H]- 251.03729 150.8
[M]+ 230.06207 153.5
[M]- 230.06317 153.5
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.