CID 9647755

2,3-dihydro-2-(ethoxycarbonylhydrazinylylidene)-3-methylbenzothiazole

Structural Information

Molecular Formula
C11H13N3O2S
SMILES
CCOC(=O)N/N=C/1\N(C2=CC=CC=C2S1)C
InChI
InChI=1S/C11H13N3O2S/c1-3-16-11(15)13-12-10-14(2)8-6-4-5-7-9(8)17-10/h4-7H,3H2,1-2H3,(H,13,15)/b12-10+
InChIKey
ZEDVLFMBPNIZSF-ZRDIBKRKSA-N
Compound name
ethyl N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07285 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.080126 152.9
[M+Na]+ 274.062068 163.0
[M-H]- 250.065574 158.6
[M+NH4]+ 269.106673 172.9
[M+K]+ 290.036008 159.9
[M+H-H2O]+ 234.070110 146.0
[M+HCOO]- 296.071051 175.7
[M+CH3COO]- 310.086701 196.8
[M+Na-2H]- 272.047516 157.7
[M]+ 251.07230142 159.2
[M]- 251.07339858 159.2
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.