CID 3063047

99700-04-6

Structural Information

Molecular Formula
C13H22N4O
SMILES
CCN1C=NC2=C1CCC(C2)NC(=O)NC(C)C
InChI
InChI=1S/C13H22N4O/c1-4-17-8-14-11-7-10(5-6-12(11)17)16-13(18)15-9(2)3/h8-10H,4-7H2,1-3H3,(H2,15,16,18)
InChIKey
YDGGNODTPNXCNN-UHFFFAOYSA-N
Compound name
1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.17937 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.18665 159.9
[M+Na]+ 273.16859 167.7
[M+NH4]+ 268.21319 166.5
[M+K]+ 289.14253 164.7
[M-H]- 249.17209 160.6
[M+Na-2H]- 271.15404 162.2
[M]+ 250.17882 160.7
[M]- 250.17992 160.7
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.