CID 3072134

Brn 5351481

Structural Information

Molecular Formula
C18H18N2O2S
SMILES
C1CC2=CC=CC=C2[C@H]([C@@H]1O)NC(=S)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2S/c21-15-11-10-12-6-4-5-9-14(12)16(15)19-18(23)20-17(22)13-7-2-1-3-8-13/h1-9,15-16,21H,10-11H2,(H2,19,20,22,23)/t15-,16-/m1/s1
InChIKey
SKMAMDAEIBRBMU-HZPDHXFCSA-N
Compound name
N-[[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1089 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.116176 172.2
[M+Na]+ 349.098118 176.2
[M-H]- 325.101624 177.3
[M+NH4]+ 344.142723 186.0
[M+K]+ 365.072058 170.5
[M+H-H2O]+ 309.106160 164.6
[M+HCOO]- 371.107101 186.3
[M+CH3COO]- 385.122751 208.3
[M+Na-2H]- 347.083566 174.6
[M]+ 326.10835142 168.6
[M]- 326.10944858 168.6
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

No patent data available for this compound.