CID 3056093

73425-56-6

Structural Information

Molecular Formula
C15H20N2S
SMILES
CCSNCC1CCCC2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C15H20N2S/c1-2-18-16-10-11-6-5-9-14-15(11)12-7-3-4-8-13(12)17-14/h3-4,7-8,11,16-17H,2,5-6,9-10H2,1H3
InChIKey
ZZCIEOSXMMWLJO-UHFFFAOYSA-N
Compound name
N-ethylsulfanyl-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

260.1347 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 156.0
[M+Na]+ 283.12392 163.9
[M-H]- 259.12742 158.5
[M+NH4]+ 278.16852 175.5
[M+K]+ 299.09786 157.7
[M+H-H2O]+ 243.13196 149.8
[M+HCOO]- 305.13290 171.0
[M+CH3COO]- 319.14855 167.3
[M+Na-2H]- 281.10937 159.9
[M]+ 260.13415 156.5
[M]- 260.13525 156.5
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.