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 165.2
[M+Na]+ 287.18422 169.6
[M-H]- 263.18772 166.3
[M+NH4]+ 282.22882 181.5
[M+K]+ 303.15816 167.0
[M+H-H2O]+ 247.19226 156.9
[M+HCOO]- 309.19320 183.7
[M+CH3COO]- 323.20885 203.6
[M+Na-2H]- 285.16967 166.5
[M]+ 264.19445 163.2
[M]- 264.19555 163.2
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.