CID 374732

Nsc652924

Structural Information

Molecular Formula
C16H12N4OS2
SMILES
COC1=CC=C(C=C1)NC2=NN=C(S2)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C16H12N4OS2/c1-21-11-8-6-10(7-9-11)17-16-19-18-15(22-16)14-12-4-2-3-5-13(12)23-20-14/h2-9H,1H3,(H,17,19)
InChIKey
VOMGKFAJFZVWKH-UHFFFAOYSA-N
Compound name
5-(1,2-benzothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.04526 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.05254 171.7
[M+Na]+ 363.03448 185.1
[M-H]- 339.03798 180.7
[M+NH4]+ 358.07908 187.4
[M+K]+ 379.00842 178.4
[M+H-H2O]+ 323.04252 165.0
[M+HCOO]- 385.04346 187.6
[M+CH3COO]- 399.05911 184.2
[M+Na-2H]- 361.01993 173.8
[M]+ 340.04471 178.5
[M]- 340.04581 178.5
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.