CID 3056126

73426-02-5

Structural Information

Molecular Formula
C19H20N2S
SMILES
CNCC1CCSC2=C1C3=CC=CC=C3N2C4=CC=CC=C4
InChI
InChI=1S/C19H20N2S/c1-20-13-14-11-12-22-19-18(14)16-9-5-6-10-17(16)21(19)15-7-3-2-4-8-15/h2-10,14,20H,11-13H2,1H3
InChIKey
LXXWGXPUSXYLIS-UHFFFAOYSA-N
Compound name
N-methyl-1-(9-phenyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.1347 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14198 168.8
[M+Na]+ 331.12392 177.7
[M-H]- 307.12742 176.0
[M+NH4]+ 326.16852 186.8
[M+K]+ 347.09786 170.8
[M+H-H2O]+ 291.13196 161.1
[M+HCOO]- 353.13290 185.4
[M+CH3COO]- 367.14855 180.2
[M+Na-2H]- 329.10937 172.6
[M]+ 308.13415 170.2
[M]- 308.13525 170.2
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