CID 2386032

3-amino-1-(4-butylphenyl)thiourea

Structural Information

Molecular Formula
C11H17N3S
SMILES
CCCCC1=CC=C(C=C1)NC(=S)NN
InChI
InChI=1S/C11H17N3S/c1-2-3-4-9-5-7-10(8-6-9)13-11(15)14-12/h5-8H,2-4,12H2,1H3,(H2,13,14,15)
InChIKey
LSTINUWHSDZHIK-UHFFFAOYSA-N
Compound name
1-amino-3-(4-butylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11432 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.121596 149.8
[M+Na]+ 246.103538 154.9
[M-H]- 222.107044 152.6
[M+NH4]+ 241.148143 167.5
[M+K]+ 262.077478 150.6
[M+H-H2O]+ 206.111580 142.6
[M+HCOO]- 268.112521 169.6
[M+CH3COO]- 282.128171 195.1
[M+Na-2H]- 244.088986 152.0
[M]+ 223.11377142 148.0
[M]- 223.11486858 148.0
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.