CID 371888

Nsc646472

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CN1C2=CC=CC=C2N=C1NC(=O)C(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H24N4O2/c1-24-16-5-3-2-4-15(16)21-19(24)22-17(25)18(26)23-20-9-12-6-13(10-20)8-14(7-12)11-20/h2-5,12-14H,6-11H2,1H3,(H,23,26)(H,21,22,25)
InChIKey
UUPKAXJUVBQRMS-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-(1-methylbenzimidazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1899 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 172.3
[M+Na]+ 375.17912 173.9
[M-H]- 351.18262 169.0
[M+NH4]+ 370.22372 191.2
[M+K]+ 391.15306 169.7
[M+H-H2O]+ 335.18716 162.8
[M+HCOO]- 397.18810 178.4
[M+CH3COO]- 411.20375 178.6
[M+Na-2H]- 373.16457 181.3
[M]+ 352.18935 173.4
[M]- 352.19045 173.4
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.