CID 16205705

Brn 4534443

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]+ 336.17403 178.9
[M+Na]+ 358.15597 183.8
[M-H]- 334.15947 183.6
[M+NH4]+ 353.20057 193.7
[M+K]+ 374.12991 181.2
[M+H-H2O]+ 318.16401 170.2
[M+HCOO]- 380.16495 194.8
[M+CH3COO]- 394.18060 221.6
[M+Na-2H]- 356.14142 179.3
[M]+ 335.16620 183.8
[M]- 335.16730 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.