CID 321835

Nsc275954

Structural Information

Molecular Formula
C17H16N2O2S2
SMILES
CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)SC3=CC=C(C=C3)C
InChI
InChI=1S/C17H16N2O2S2/c1-3-21-16(20)18-12-6-9-14-15(10-12)23-17(19-14)22-13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H,18,20)
InChIKey
FTULSJWSPDDNGH-UHFFFAOYSA-N
Compound name
ethyl N-[2-(4-methylphenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0653 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.07258 176.4
[M+Na]+ 367.05452 186.6
[M-H]- 343.05802 183.3
[M+NH4]+ 362.09912 192.4
[M+K]+ 383.02846 180.2
[M+H-H2O]+ 327.06256 169.5
[M+HCOO]- 389.06350 190.7
[M+CH3COO]- 403.07915 187.8
[M+Na-2H]- 365.03997 177.8
[M]+ 344.06475 183.4
[M]- 344.06585 183.4
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.