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]+ 325.20228 165.3
[M+Na]+ 347.18422 167.8
[M-H]- 323.18772 162.3
[M+NH4]+ 342.22882 185.6
[M+K]+ 363.15816 162.9
[M+H-H2O]+ 307.19226 155.5
[M+HCOO]- 369.19320 172.6
[M+CH3COO]- 383.20885 172.4
[M+Na-2H]- 345.16967 175.5
[M]+ 324.19445 166.0
[M]- 324.19555 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.