CID 205523

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

Structural Information

Molecular Formula
C11H17N3S
SMILES
CN(C)CCSC(=NC1=CC=CC=C1)N
InChI
InChI=1S/C11H17N3S/c1-14(2)8-9-15-11(12)13-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,12,13)
InChIKey
UCFWWTQGFJQTPN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N'-phenylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11432 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.121596 151.0
[M+Na]+ 246.103538 155.9
[M-H]- 222.107044 156.4
[M+NH4]+ 241.148143 169.8
[M+K]+ 262.077478 153.9
[M+H-H2O]+ 206.111580 143.1
[M+HCOO]- 268.112521 172.9
[M+CH3COO]- 282.128171 199.9
[M+Na-2H]- 244.088986 153.6
[M]+ 223.11377142 152.1
[M]- 223.11486858 152.1
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.