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]+ 327.11618 172.2
[M+Na]+ 349.09812 176.2
[M-H]- 325.10162 177.3
[M+NH4]+ 344.14272 186.0
[M+K]+ 365.07206 170.5
[M+H-H2O]+ 309.10616 164.6
[M+HCOO]- 371.10710 186.3
[M+CH3COO]- 385.12275 208.3
[M+Na-2H]- 347.08357 174.6
[M]+ 326.10835 168.6
[M]- 326.10945 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.