CID 20157462

(4-butylphenyl)thiourea

Structural Information

Molecular Formula
C11H16N2S
SMILES
CCCCC1=CC=C(C=C1)NC(=S)N
InChI
InChI=1S/C11H16N2S/c1-2-3-4-9-5-7-10(8-6-9)13-11(12)14/h5-8H,2-4H2,1H3,(H3,12,13,14)
InChIKey
RZJUXUZQNIADNR-UHFFFAOYSA-N
Compound name
(4-butylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

208.10342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.110696 146.4
[M+Na]+ 231.092638 152.4
[M-H]- 207.096144 149.4
[M+NH4]+ 226.137243 165.1
[M+K]+ 247.066578 148.1
[M+H-H2O]+ 191.100680 139.8
[M+HCOO]- 253.101621 165.3
[M+CH3COO]- 267.117271 190.7
[M+Na-2H]- 229.078086 148.1
[M]+ 208.10287142 145.5
[M]- 208.10396858 145.5
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