CID 360957

Nsc623685

Structural Information

Molecular Formula
C17H18N2O4S
SMILES
CCOC(=O)C1=C2C=C(C=CN2C3=C1SC(=C3N)C(=O)OCC)C
InChI
InChI=1S/C17H18N2O4S/c1-4-22-16(20)11-10-8-9(3)6-7-19(10)13-12(18)15(24-14(11)13)17(21)23-5-2/h6-8H,4-5,18H2,1-3H3
InChIKey
BOGKHBUNEIMRAU-UHFFFAOYSA-N
Compound name
diethyl 1-amino-6-methylthieno[2,3-b]indolizine-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09872 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10600 181.2
[M+Na]+ 369.08794 192.8
[M-H]- 345.09144 187.0
[M+NH4]+ 364.13254 199.9
[M+K]+ 385.06188 189.2
[M+H-H2O]+ 329.09598 176.0
[M+HCOO]- 391.09692 200.2
[M+CH3COO]- 405.11257 213.5
[M+Na-2H]- 367.07339 180.0
[M]+ 346.09817 192.4
[M]- 346.09927 192.4
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.