CID 374731

Nsc652923

Structural Information

Molecular Formula
C11H10N4S2
SMILES
CCNC1=NN=C(S1)C2=NSC3=CC=CC=C32
InChI
InChI=1S/C11H10N4S2/c1-2-12-11-14-13-10(16-11)9-7-5-3-4-6-8(7)17-15-9/h3-6H,2H2,1H3,(H,12,14)
InChIKey
BRQSNLIOBWCBLC-UHFFFAOYSA-N
Compound name
5-(1,2-benzothiazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0347 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04198 151.6
[M+Na]+ 285.02392 165.1
[M-H]- 261.02742 157.3
[M+NH4]+ 280.06852 170.7
[M+K]+ 300.99786 159.7
[M+H-H2O]+ 245.03196 145.6
[M+HCOO]- 307.03290 167.3
[M+CH3COO]- 321.04855 165.1
[M+Na-2H]- 283.00937 153.9
[M]+ 262.03415 157.4
[M]- 262.03525 157.4
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.