CID 9570956

2-(dimethylamino)methyleneamino-5-methoxybenzothiazole

Structural Information

Molecular Formula
C11H13N3OS
SMILES
CN(C)/C=N/C1=NC2=C(S1)C=CC(=C2)OC
InChI
InChI=1S/C11H13N3OS/c1-14(2)7-12-11-13-9-6-8(15-3)4-5-10(9)16-11/h4-7H,1-3H3/b12-7+
InChIKey
XJEAGLDXHRROSU-KPKJPENVSA-N
Compound name
N'-(5-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07793 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08521 149.6
[M+Na]+ 258.06715 160.0
[M-H]- 234.07065 156.7
[M+NH4]+ 253.11175 171.0
[M+K]+ 274.04109 157.9
[M+H-H2O]+ 218.07519 142.5
[M+HCOO]- 280.07613 173.6
[M+CH3COO]- 294.09178 199.4
[M+Na-2H]- 256.05260 154.7
[M]+ 235.07738 157.3
[M]- 235.07848 157.3
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.