CID 204963

Pseudourea, 2-(2-(diethylamino)ethyl)-1-phenyl-2-thio-, dihydrobromide

Structural Information

Molecular Formula
C13H21N3S
SMILES
CCN(CC)CCSC(=NC1=CC=CC=C1)N
InChI
InChI=1S/C13H21N3S/c1-3-16(4-2)10-11-17-13(14)15-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,14,15)
InChIKey
HKVOWXHRVIMSNO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N'-phenylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9656
Patents

251.14561 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15289 159.8
[M+Na]+ 274.13483 163.8
[M-H]- 250.13833 164.8
[M+NH4]+ 269.17943 177.5
[M+K]+ 290.10877 161.3
[M+H-H2O]+ 234.14287 151.5
[M+HCOO]- 296.14381 181.0
[M+CH3COO]- 310.15946 205.9
[M+Na-2H]- 272.12028 161.4
[M]+ 251.14506 161.6
[M]- 251.14616 161.6
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.