CID 1540766

(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)(4-chlorophenyl)methanone

Structural Information

Molecular Formula
C20H19ClN2OS
SMILES
CCC1=NC2=C(C3=C1CCCC3)C(=C(S2)C(=O)C4=CC=C(C=C4)Cl)N
InChI
InChI=1S/C20H19ClN2OS/c1-2-15-13-5-3-4-6-14(13)16-17(22)19(25-20(16)23-15)18(24)11-7-9-12(21)10-8-11/h7-10H,2-6,22H2,1H3
InChIKey
SRUHBVHWPMHVNM-UHFFFAOYSA-N
Compound name
(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.09067 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09795 184.2
[M+Na]+ 393.07989 199.5
[M+NH4]+ 388.12449 194.2
[M+K]+ 409.05383 189.8
[M-H]- 369.08339 190.1
[M+Na-2H]- 391.06534 190.7
[M]+ 370.09012 189.0
[M]- 370.09122 189.0
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.