CID 3063049

1-((1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl)-3-isopropylurea

Structural Information

Molecular Formula
C14H24N4O
SMILES
CCN1C=NC2=C1CCC(C2)CNC(=O)NC(C)C
InChI
InChI=1S/C14H24N4O/c1-4-18-9-16-12-7-11(5-6-13(12)18)8-15-14(19)17-10(2)3/h9-11H,4-8H2,1-3H3,(H2,15,17,19)
InChIKey
RLJDVYZTXPCXOX-UHFFFAOYSA-N
Compound name
1-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.20228 164.3
[M+Na]+ 287.18422 171.9
[M+NH4]+ 282.22882 170.7
[M+K]+ 303.15816 168.6
[M-H]- 263.18772 165.0
[M+Na-2H]- 285.16967 166.3
[M]+ 264.19445 165.0
[M]- 264.19555 165.0
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.