CID 5387617

Nsc625218

Structural Information

Molecular Formula
C15H21N3S
SMILES
C/C(=N/NC(=S)N)/C1=CC=C(C=C1)C2CCCCC2
InChI
InChI=1S/C15H21N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H3,16,18,19)/b17-11-
InChIKey
BVDRAXGQEFWCBU-BOPFTXTBSA-N
Compound name
[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.14563 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15291 163.9
[M+Na]+ 298.13485 166.1
[M-H]- 274.13835 169.9
[M+NH4]+ 293.17945 179.4
[M+K]+ 314.10879 161.8
[M+H-H2O]+ 258.14289 155.6
[M+HCOO]- 320.14383 180.5
[M+CH3COO]- 334.15948 206.4
[M+Na-2H]- 296.12030 163.7
[M]+ 275.14508 157.6
[M]- 275.14618 157.6
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

patents stripe