CID 3101699

1,1-dibutyl-3-phenyl-2-thiourea

Structural Information

Molecular Formula
C15H24N2S
SMILES
CCCCN(CCCC)C(=S)NC1=CC=CC=C1
InChI
InChI=1S/C15H24N2S/c1-3-5-12-17(13-6-4-2)15(18)16-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H,16,18)
InChIKey
DALNRYKLXQFYLE-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

264.16602 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17330 164.9
[M+Na]+ 287.15524 168.5
[M-H]- 263.15874 168.8
[M+NH4]+ 282.19984 182.1
[M+K]+ 303.12918 165.1
[M+H-H2O]+ 247.16328 157.0
[M+HCOO]- 309.16422 183.7
[M+CH3COO]- 323.17987 205.0
[M+Na-2H]- 285.14069 165.6
[M]+ 264.16547 167.3
[M]- 264.16657 167.3
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