CID 375060

Nsc653943

Structural Information

Molecular Formula
C18H18N2O3S2
SMILES
CCOC(=O)C1=C2C(=CC(=CN2C3=C1SC(=S)N(C3=O)CC=C)C)C
InChI
InChI=1S/C18H18N2O3S2/c1-5-7-19-16(21)14-15(25-18(19)24)12(17(22)23-6-2)13-11(4)8-10(3)9-20(13)14/h5,8-9H,1,6-7H2,2-4H3
InChIKey
JCDPWVXIPYTTIT-UHFFFAOYSA-N
Compound name
ethyl 7,9-dimethyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-[1,3]thiazino[6,5-b]indolizine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0759 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08318 183.8
[M+Na]+ 397.06512 197.4
[M-H]- 373.06862 187.9
[M+NH4]+ 392.10972 199.3
[M+K]+ 413.03906 189.9
[M+H-H2O]+ 357.07316 178.2
[M+HCOO]- 419.07410 194.1
[M+CH3COO]- 433.08975 217.8
[M+Na-2H]- 395.05057 182.2
[M]+ 374.07535 194.6
[M]- 374.07645 194.6
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.