CID 5372742

Nsc656279

Structural Information

Molecular Formula
C11H13N3S
SMILES
C1CC2=CC=CC=C2/C(=N\NC(=S)N)/C1
InChI
InChI=1S/C11H13N3S/c12-11(15)14-13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2,(H3,12,14,15)/b13-10-
InChIKey
PRNSUJCXOCSNAQ-RAXLEYEMSA-N
Compound name
[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08302 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.090296 143.9
[M+Na]+ 242.072238 149.3
[M-H]- 218.075744 148.5
[M+NH4]+ 237.116843 163.2
[M+K]+ 258.046178 145.2
[M+H-H2O]+ 202.080280 137.1
[M+HCOO]- 264.081221 162.7
[M+CH3COO]- 278.096871 194.9
[M+Na-2H]- 240.057686 148.7
[M]+ 219.08247142 139.7
[M]- 219.08356858 139.7
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.