CID 387859

Nsc682070

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
C1CC2=C(C=CC3=C2C1=CC=C3)NC(=O)CSC(=O)N
InChI
InChI=1S/C15H14N2O2S/c16-15(19)20-8-13(18)17-12-7-5-10-3-1-2-9-4-6-11(12)14(9)10/h1-3,5,7H,4,6,8H2,(H2,16,19)(H,17,18)
InChIKey
HDJGVLFSLRJOCK-UHFFFAOYSA-N
Compound name
S-[2-(1,2-dihydroacenaphthylen-3-ylamino)-2-oxoethyl] carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0776 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 163.4
[M+Na]+ 309.06682 170.0
[M-H]- 285.07032 167.4
[M+NH4]+ 304.11142 182.9
[M+K]+ 325.04076 165.7
[M+H-H2O]+ 269.07486 157.6
[M+HCOO]- 331.07580 180.0
[M+CH3COO]- 345.09145 204.1
[M+Na-2H]- 307.05227 166.0
[M]+ 286.07705 165.4
[M]- 286.07815 165.4
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.