CID 469974

1,3-diethyl-2-[2-(isopropylamino)ethyl]isothiourea

Structural Information

Molecular Formula
C10H23N3S
SMILES
CCNC(=NCC)SCCNC(C)C
InChI
InChI=1S/C10H23N3S/c1-5-11-10(12-6-2)14-8-7-13-9(3)4/h9,13H,5-8H2,1-4H3,(H,11,12)
InChIKey
WPKDFXSNRACZEH-UHFFFAOYSA-N
Compound name
2-(propan-2-ylamino)ethyl N,N'-diethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.16127 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.16855 154.1
[M+Na]+ 240.15049 157.3
[M-H]- 216.15399 155.0
[M+NH4]+ 235.19509 172.9
[M+K]+ 256.12443 155.9
[M+H-H2O]+ 200.15853 146.9
[M+HCOO]- 262.15947 173.4
[M+CH3COO]- 276.17512 199.1
[M+Na-2H]- 238.13594 154.6
[M]+ 217.16072 156.0
[M]- 217.16182 156.0
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.