CID 3059659

(+-)-n-(3,4,4a,5-tetrahydro-1h-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine

Structural Information

Molecular Formula
C20H17N3S
SMILES
C1CSC(=NC2=CC3=C(C=C2)C=NC=C3)N4C1CC5=CC=CC=C54
InChI
InChI=1S/C20H17N3S/c1-2-4-19-15(3-1)12-18-8-10-24-20(23(18)19)22-17-6-5-16-13-21-9-7-14(16)11-17/h1-7,9,11,13,18H,8,10,12H2
InChIKey
OXOIREPEMSQEFB-UHFFFAOYSA-N
Compound name
N-isoquinolin-6-yl-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.11432 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12160 174.0
[M+Na]+ 354.10354 189.5
[M+NH4]+ 349.14814 185.3
[M+K]+ 370.07748 178.9
[M-H]- 330.10704 181.1
[M+Na-2H]- 352.08899 182.1
[M]+ 331.11377 178.9
[M]- 331.11487 178.9
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.