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

1
Patents

336.12964 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13692 177.0
[M+Na]+ 359.11886 185.1
[M-H]- 335.12236 184.2
[M+NH4]+ 354.16346 193.6
[M+K]+ 375.09280 178.7
[M+H-H2O]+ 319.12690 169.3
[M+HCOO]- 381.12784 192.6
[M+CH3COO]- 395.14349 187.7
[M+Na-2H]- 357.10431 179.5
[M]+ 336.12909 178.9
[M]- 336.13019 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