CID 2396459

3-amino-3-tert-butyl-1-(3-chlorophenyl)thiourea

Structural Information

Molecular Formula
C11H16ClN3S
SMILES
CC(C)(C)N(C(=S)NC1=CC(=CC=C1)Cl)N
InChI
InChI=1S/C11H16ClN3S/c1-11(2,3)15(13)10(16)14-9-6-4-5-8(12)7-9/h4-7H,13H2,1-3H3,(H,14,16)
InChIKey
FGBDZLGJTFPYCP-UHFFFAOYSA-N
Compound name
1-amino-1-tert-butyl-3-(3-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

257.07535 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08263 158.6
[M+Na]+ 280.06457 164.9
[M-H]- 256.06807 163.1
[M+NH4]+ 275.10917 176.6
[M+K]+ 296.03851 160.7
[M+H-H2O]+ 240.07261 152.8
[M+HCOO]- 302.07355 172.9
[M+CH3COO]- 316.08920 201.8
[M+Na-2H]- 278.05002 160.2
[M]+ 257.07480 159.5
[M]- 257.07590 159.5
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.