CID 203818

Pseudourea, 2-(2-(alpha-ethylanilino)ethyl)-2-thio-, hydrochloride

Structural Information

Molecular Formula
C11H17N3S
SMILES
CCN(CCSC(=N)N)C1=CC=CC=C1
InChI
InChI=1S/C11H17N3S/c1-2-14(8-9-15-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,12,13)
InChIKey
BYGUPQBAZULWEQ-UHFFFAOYSA-N
Compound name
2-(N-ethylanilino)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11432 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.121596 150.5
[M+Na]+ 246.103538 154.8
[M-H]- 222.107044 154.4
[M+NH4]+ 241.148143 168.5
[M+K]+ 262.077478 151.9
[M+H-H2O]+ 206.111580 142.9
[M+HCOO]- 268.112521 170.8
[M+CH3COO]- 282.128171 198.0
[M+Na-2H]- 244.088986 152.7
[M]+ 223.11377142 149.8
[M]- 223.11486858 149.8
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.