CID 16205710

Brn 4544105

Structural Information

Molecular Formula
C18H27N3O2S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OCCN(CC)CC)/C
InChI
InChI=1S/C18H27N3O2S/c1-5-20(6-2)10-11-23-19-14(4)15-8-9-17-16(12-15)21(7-3)18(22)13-24-17/h8-9,12H,5-7,10-11,13H2,1-4H3/b19-14+
InChIKey
WOFLHSFKJYGJTL-XMHGGMMESA-N
Compound name
6-[(E)-N-[2-(diethylamino)ethoxy]-C-methylcarbonimidoyl]-4-ethyl-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1824 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18968 183.3
[M+Na]+ 372.17162 187.7
[M-H]- 348.17512 187.7
[M+NH4]+ 367.21622 197.5
[M+K]+ 388.14556 184.9
[M+H-H2O]+ 332.17966 174.4
[M+HCOO]- 394.18060 198.9
[M+CH3COO]- 408.19625 224.6
[M+Na-2H]- 370.15707 183.2
[M]+ 349.18185 188.6
[M]- 349.18295 188.6
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.