CID 374147

Nsc651604

Structural Information

Molecular Formula
C19H24N4O
SMILES
CN1C2=CC=CC=C2N=C1NC(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H24N4O/c1-23-16-5-3-2-4-15(16)20-17(23)21-18(24)22-19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3,(H2,20,21,22,24)
InChIKey
WNJDINHLNIXJFA-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-(1-methylbenzimidazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.195 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.202276 165.3
[M+Na]+ 347.184218 167.8
[M-H]- 323.187724 162.3
[M+NH4]+ 342.228823 185.6
[M+K]+ 363.158158 162.9
[M+H-H2O]+ 307.192260 155.5
[M+HCOO]- 369.193201 172.6
[M+CH3COO]- 383.208851 172.4
[M+Na-2H]- 345.169666 175.5
[M]+ 324.19445142 166.0
[M]- 324.19554858 166.0
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.