CID 215079

Bicarbamimide, n-(2-hydroxyethyl)-2-phenyl-3-propyl-

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CCCN1C(=O)N(C(=O)N1C2=CC=CC=C2)CCO
InChI
InChI=1S/C13H17N3O3/c1-2-8-15-12(18)14(9-10-17)13(19)16(15)11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChIKey
LNPQUBOGCIUSRB-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-1-phenyl-2-propyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.134256 158.3
[M+Na]+ 286.116198 168.8
[M-H]- 262.119704 160.7
[M+NH4]+ 281.160803 172.5
[M+K]+ 302.090138 164.4
[M+H-H2O]+ 246.124240 149.7
[M+HCOO]- 308.125181 179.2
[M+CH3COO]- 322.140831 193.9
[M+Na-2H]- 284.101646 160.8
[M]+ 263.12643142 161.9
[M]- 263.12752858 161.9
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.