CID 1150683

Ldn-27219

Structural Information

Molecular Formula
C20H16N4O2S2
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NN)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4O2S2/c21-23-16(25)12-28-20-22-18-17(15(11-27-18)13-7-3-1-4-8-13)19(26)24(20)14-9-5-2-6-10-14/h1-11H,12,21H2,(H,23,25)
InChIKey
WLBUICQBNZXIDJ-UHFFFAOYSA-N
Compound name
2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

408.07147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.07875 190.4
[M+Na]+ 431.06069 200.9
[M-H]- 407.06419 198.7
[M+NH4]+ 426.10529 201.5
[M+K]+ 447.03463 192.2
[M+H-H2O]+ 391.06873 182.3
[M+HCOO]- 453.06967 204.5
[M+CH3COO]- 467.08532 200.2
[M+Na-2H]- 429.04614 192.8
[M]+ 408.07092 194.6
[M]- 408.07202 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

literature stripe

Patent stripe

patents stripe