CID 3768107

573669-75-7

Structural Information

Molecular Formula
C26H26N4O2S2
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3CC)C5=CC=CC=C51
InChI
InChI=1S/C26H26N4O2S2/c1-5-29-20-10-8-7-9-18(20)19-13-17(11-12-21(19)29)27-22(31)14-33-26-28-24-23(15(3)16(4)34-24)25(32)30(26)6-2/h7-13H,5-6,14H2,1-4H3,(H,27,31)
InChIKey
TVSHKACCQAADFW-UHFFFAOYSA-N
Compound name
N-(9-ethylcarbazol-3-yl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.14972 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15700 218.2
[M+Na]+ 513.13894 233.8
[M+NH4]+ 508.18354 225.8
[M+K]+ 529.11288 224.3
[M-H]- 489.14244 223.1
[M+Na-2H]- 511.12439 222.8
[M]+ 490.14917 223.0
[M]- 490.15027 223.0
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.