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]+ 252.08013 152.9
[M+Na]+ 274.06207 163.0
[M-H]- 250.06557 158.6
[M+NH4]+ 269.10667 172.9
[M+K]+ 290.03601 159.9
[M+H-H2O]+ 234.07011 146.0
[M+HCOO]- 296.07105 175.7
[M+CH3COO]- 310.08670 196.8
[M+Na-2H]- 272.04752 157.7
[M]+ 251.07230 159.2
[M]- 251.07340 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.