CID 380504

Nsc666119

Structural Information

Molecular Formula
C20H17NO5S
SMILES
CCOC(=O)N1C2=CC=CC=C2C3=C(C=C4C=CSC4=C31)OC(=O)OCC
InChI
InChI=1S/C20H17NO5S/c1-3-24-19(22)21-14-8-6-5-7-13(14)16-15(26-20(23)25-4-2)11-12-9-10-27-18(12)17(16)21/h5-11H,3-4H2,1-2H3
InChIKey
VERUBFLYWIDDSU-UHFFFAOYSA-N
Compound name
ethyl 5-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.08273 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.09001 190.7
[M+Na]+ 406.07195 202.2
[M-H]- 382.07545 197.7
[M+NH4]+ 401.11655 209.1
[M+K]+ 422.04589 198.8
[M+H-H2O]+ 366.07999 185.3
[M+HCOO]- 428.08093 208.5
[M+CH3COO]- 442.09658 202.7
[M+Na-2H]- 404.05740 191.9
[M]+ 383.08218 204.2
[M]- 383.08328 204.2
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.