CID 1936439

487020-03-1

Structural Information

Molecular Formula
C20H11N5OS
SMILES
C1=CC=C2C(=C1)N=C3C(=C4C=C(C=CN4C3=N2)NC(=O)C5=CC=CS5)C#N
InChI
InChI=1S/C20H11N5OS/c21-11-13-16-10-12(22-20(26)17-6-3-9-27-17)7-8-25(16)19-18(13)23-14-4-1-2-5-15(14)24-19/h1-10H,(H,22,26)
InChIKey
BCSBXWKRZUPFHW-UHFFFAOYSA-N
Compound name
N-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

50
Patents

369.06842 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.07570 185.3
[M+Na]+ 392.05764 200.6
[M+NH4]+ 387.10224 190.5
[M+K]+ 408.03158 190.3
[M-H]- 368.06114 182.7
[M+Na-2H]- 390.04309 190.0
[M]+ 369.06787 186.5
[M]- 369.06897 186.5
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