CID 3056092

73425-54-4

Structural Information

Molecular Formula
C19H20N2S
SMILES
C1CC(C2=C(C1)NC3=CC=CC=C32)CNSC4=CC=CC=C4
InChI
InChI=1S/C19H20N2S/c1-2-8-15(9-3-1)22-20-13-14-7-6-12-18-19(14)16-10-4-5-11-17(16)21-18/h1-5,8-11,14,20-21H,6-7,12-13H2
InChIKey
UIMLLOOLRJQOIU-UHFFFAOYSA-N
Compound name
N-phenylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1347 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.141976 166.8
[M+Na]+ 331.123918 174.4
[M-H]- 307.127424 172.3
[M+NH4]+ 326.168523 183.8
[M+K]+ 347.097858 166.7
[M+H-H2O]+ 291.131960 159.4
[M+HCOO]- 353.132901 182.1
[M+CH3COO]- 367.148551 177.4
[M+Na-2H]- 329.109366 171.2
[M]+ 308.13415142 166.2
[M]- 308.13524858 166.2
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

No patent data available for this compound.