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 160.7
[M+Na]+ 273.16859 165.5
[M-H]- 249.17209 162.0
[M+NH4]+ 268.21319 177.6
[M+K]+ 289.14253 163.2
[M+H-H2O]+ 233.17663 152.6
[M+HCOO]- 295.17757 179.5
[M+CH3COO]- 309.19322 200.6
[M+Na-2H]- 271.15404 162.6
[M]+ 250.17882 158.4
[M]- 250.17992 158.4
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.