CID 16205705

91119-80-1

Structural Information

Molecular Formula
C17H25N3O2S
SMILES
CCN(CC)CCO/N=C(\C)/C1=CC2=C(C=C1)SCC(=O)N2C
InChI
InChI=1S/C17H25N3O2S/c1-5-20(6-2)9-10-22-18-13(3)14-7-8-16-15(11-14)19(4)17(21)12-23-16/h7-8,11H,5-6,9-10,12H2,1-4H3/b18-13+
InChIKey
WGYWODSYAAEVHU-QGOAFFKASA-N
Compound name
6-[(E)-N-[2-(diethylamino)ethoxy]-C-methylcarbonimidoyl]-4-methyl-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.16675 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.174026 178.9
[M+Na]+ 358.155968 183.8
[M-H]- 334.159474 183.6
[M+NH4]+ 353.200573 193.7
[M+K]+ 374.129908 181.2
[M+H-H2O]+ 318.164010 170.2
[M+HCOO]- 380.164951 194.8
[M+CH3COO]- 394.180601 221.6
[M+Na-2H]- 356.141416 179.3
[M]+ 335.16620142 183.8
[M]- 335.16729858 183.8
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.