CID 3059658

(rs)-4-((3-methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole

Structural Information

Molecular Formula
C21H19N3S
SMILES
CC1=CC2=C(C=CC(=C2)N=C3N4C(CCS3)CC5=CC=CC=C54)C=N1
InChI
InChI=1S/C21H19N3S/c1-14-10-17-11-18(7-6-16(17)13-22-14)23-21-24-19(8-9-25-21)12-15-4-2-3-5-20(15)24/h2-7,10-11,13,19H,8-9,12H2,1H3
InChIKey
POCGKVQKZZRAGH-UHFFFAOYSA-N
Compound name
N-(3-methylisoquinolin-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

345.12997 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13725 179.0
[M+Na]+ 368.11919 194.6
[M+NH4]+ 363.16379 190.1
[M+K]+ 384.09313 183.9
[M-H]- 344.12269 186.1
[M+Na-2H]- 366.10464 186.5
[M]+ 345.12942 183.9
[M]- 345.13052 183.9
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.