CID 3056130

73426-06-9

Structural Information

Molecular Formula
C20H19ClN2OS
SMILES
CNCC1CCSC2=C1C3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H19ClN2OS/c1-22-12-14-10-11-25-20-18(14)16-4-2-3-5-17(16)23(20)19(24)13-6-8-15(21)9-7-13/h2-9,14,22H,10-12H2,1H3
InChIKey
MJLBLRWMAZBYBO-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.09067 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09795 185.0
[M+Na]+ 393.07989 194.5
[M-H]- 369.08339 192.3
[M+NH4]+ 388.12449 201.3
[M+K]+ 409.05383 186.9
[M+H-H2O]+ 353.08793 178.0
[M+HCOO]- 415.08887 195.9
[M+CH3COO]- 429.10452 195.5
[M+Na-2H]- 391.06534 186.1
[M]+ 370.09012 189.4
[M]- 370.09122 189.4
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

patents stripe