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

3
Patents

308.1347 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.141976 168.8
[M+Na]+ 331.123918 177.7
[M-H]- 307.127424 176.0
[M+NH4]+ 326.168523 186.8
[M+K]+ 347.097858 170.8
[M+H-H2O]+ 291.131960 161.1
[M+HCOO]- 353.132901 185.4
[M+CH3COO]- 367.148551 180.2
[M+Na-2H]- 329.109366 172.6
[M]+ 308.13415142 170.2
[M]- 308.13524858 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