CID 3056145

9-benzoyl-n-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate

Structural Information

Molecular Formula
C20H20N2OS
SMILES
CNCC1CCSC2=C1C3=CC=CC=C3N2C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H20N2OS/c1-21-13-15-11-12-24-20-18(15)16-9-5-6-10-17(16)22(20)19(23)14-7-3-2-4-8-14/h2-10,15,21H,11-13H2,1H3
InChIKey
GFJRXDSMBASCCB-UHFFFAOYSA-N
Compound name
[4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.12964 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.136916 177.0
[M+Na]+ 359.118858 185.1
[M-H]- 335.122364 184.2
[M+NH4]+ 354.163463 193.6
[M+K]+ 375.092798 178.7
[M+H-H2O]+ 319.126900 169.3
[M+HCOO]- 381.127841 192.6
[M+CH3COO]- 395.143491 187.7
[M+Na-2H]- 357.104306 179.5
[M]+ 336.12909142 178.9
[M]- 336.13018858 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

patents stripe