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]+ 220.09030 143.9
[M+Na]+ 242.07224 149.3
[M-H]- 218.07574 148.5
[M+NH4]+ 237.11684 163.2
[M+K]+ 258.04618 145.2
[M+H-H2O]+ 202.08028 137.1
[M+HCOO]- 264.08122 162.7
[M+CH3COO]- 278.09687 194.9
[M+Na-2H]- 240.05769 148.7
[M]+ 219.08247 139.7
[M]- 219.08357 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.