CID 3055391

(1-(2-fluorenyl)-aethylmercapto)essigsaeureamid [german]

Structural Information

Molecular Formula
C17H17NOS
SMILES
CC(C1=CC2=C(C=C1)C3=CC=CC=C3C2)SCC(=O)N
InChI
InChI=1S/C17H17NOS/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H2,18,19)
InChIKey
LJONPVWRZOUNAK-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.1031 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11038 165.3
[M+Na]+ 306.09232 172.9
[M-H]- 282.09582 170.2
[M+NH4]+ 301.13692 185.2
[M+K]+ 322.06626 167.8
[M+H-H2O]+ 266.10036 159.5
[M+HCOO]- 328.10130 181.3
[M+CH3COO]- 342.11695 176.8
[M+Na-2H]- 304.07777 166.4
[M]+ 283.10255 167.6
[M]- 283.10365 167.6
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