CID 9571467

Nsc667064

Structural Information

Molecular Formula
C23H25N3O2S
SMILES
C1CC2=CC=CC=C2/C(=N\NC(=S)N)/C1CCC3(CCC4=CC=CC=C4C3=O)O
InChI
InChI=1S/C23H25N3O2S/c24-22(29)26-25-20-17(10-9-15-5-1-3-7-18(15)20)12-14-23(28)13-11-16-6-2-4-8-19(16)21(23)27/h1-8,17,28H,9-14H2,(H3,24,26,29)/b25-20-
InChIKey
HLNWYZBGDBIXCE-QQTULTPQSA-N
Compound name
[(Z)-[2-[2-(2-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.16675 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17403 191.0
[M+Na]+ 430.15597 194.8
[M-H]- 406.15947 196.5
[M+NH4]+ 425.20057 204.4
[M+K]+ 446.12991 188.0
[M+H-H2O]+ 390.16401 182.5
[M+HCOO]- 452.16495 203.1
[M+CH3COO]- 466.18060 198.3
[M+Na-2H]- 428.14142 194.1
[M]+ 407.16620 186.6
[M]- 407.16730 186.6
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.