CID 3057104

1-(m-chlorophenyl)-3-(2-(diethylamino)ethyl)-2-thiourea

Structural Information

Molecular Formula
C13H20ClN3S
SMILES
CCN(CC)CCNC(=S)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C13H20ClN3S/c1-3-17(4-2)9-8-15-13(18)16-12-7-5-6-11(14)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H2,15,16,18)
InChIKey
FMZJYIHMIHBFHK-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[2-(diethylamino)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.10666 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11394 166.4
[M+Na]+ 308.09588 171.4
[M-H]- 284.09938 170.8
[M+NH4]+ 303.14048 183.4
[M+K]+ 324.06982 166.6
[M+H-H2O]+ 268.10392 159.7
[M+HCOO]- 330.10486 182.2
[M+CH3COO]- 344.12051 208.7
[M+Na-2H]- 306.08133 167.4
[M]+ 285.10611 169.7
[M]- 285.10721 169.7
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.