CID 6509757

[(z)-(4-butylphenyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C12H17N3S
SMILES
CCCCC1=CC=C(C=C1)/C=N\NC(=S)N
InChI
InChI=1S/C12H17N3S/c1-2-3-4-10-5-7-11(8-6-10)9-14-15-12(13)16/h5-9H,2-4H2,1H3,(H3,13,15,16)/b14-9-
InChIKey
UTSFFPXONTVWMJ-ZROIWOOFSA-N
Compound name
[(Z)-(4-butylphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.11432 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12160 153.5
[M+Na]+ 258.10354 159.0
[M-H]- 234.10704 157.6
[M+NH4]+ 253.14814 171.4
[M+K]+ 274.07748 154.7
[M+H-H2O]+ 218.11158 145.9
[M+HCOO]- 280.11252 174.7
[M+CH3COO]- 294.12817 199.8
[M+Na-2H]- 256.08899 155.6
[M]+ 235.11377 153.3
[M]- 235.11487 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.