CID 79190

5304-29-0

Structural Information

Molecular Formula
C11H14N2OS
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N(C)C
InChI
InChI=1S/C11H14N2OS/c1-4-14-8-5-6-9-10(7-8)15-11(12-9)13(2)3/h5-7H,4H2,1-3H3
InChIKey
AOKXEGLNJFYAGV-UHFFFAOYSA-N
Compound name
6-ethoxy-N,N-dimethyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.08269 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.089966 146.6
[M+Na]+ 245.071908 157.2
[M-H]- 221.075414 152.3
[M+NH4]+ 240.116513 168.2
[M+K]+ 261.045848 154.9
[M+H-H2O]+ 205.079950 140.2
[M+HCOO]- 267.080891 167.9
[M+CH3COO]- 281.096541 193.4
[M+Na-2H]- 243.057356 150.7
[M]+ 222.08214142 154.0
[M]- 222.08323858 154.0
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.