CID 212514

24394-55-6

Structural Information

Molecular Formula
C16H15NO2S
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C(C2=O)(O)SCCN
InChI
InChI=1S/C16H15NO2S/c17-9-10-20-16(19)14-8-4-3-6-12(14)11-5-1-2-7-13(11)15(16)18/h1-8,19H,9-10,17H2
InChIKey
HZKDTFXQZYFOOS-UHFFFAOYSA-N
Compound name
10-(2-aminoethylsulfanyl)-10-hydroxyphenanthren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.08234 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08962 161.5
[M+Na]+ 308.07156 174.8
[M+NH4]+ 303.11616 172.5
[M+K]+ 324.04550 163.0
[M-H]- 284.07506 165.4
[M+Na-2H]- 306.05701 168.9
[M]+ 285.08179 165.3
[M]- 285.08289 165.3
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