CID 16126782

Hnha

Structural Information

Molecular Formula
C17H21NO2S
SMILES
C1=CC=C2C=C(C=CC2=C1)SCCCCCCC(=O)NO
InChI
InChI=1S/C17H21NO2S/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19)
InChIKey
KPNNXHVGOKRBEF-UHFFFAOYSA-N
Compound name
N-hydroxy-7-naphthalen-2-ylsulfanylheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

334
Patents

303.1293 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13658 169.4
[M+Na]+ 326.11852 174.4
[M-H]- 302.12202 171.5
[M+NH4]+ 321.16312 184.9
[M+K]+ 342.09246 168.9
[M+H-H2O]+ 286.12656 162.3
[M+HCOO]- 348.12750 185.1
[M+CH3COO]- 362.14315 203.4
[M+Na-2H]- 324.10397 172.3
[M]+ 303.12875 172.4
[M]- 303.12985 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe