CID 364464

Nsc630725

Structural Information

Molecular Formula
C19H22N4O2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)NC4=NC5=CC=CC=C5N4
InChI
InChI=1S/C19H22N4O2/c24-16(22-18-20-14-3-1-2-4-15(14)21-18)17(25)23-19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13H,5-10H2,(H,23,25)(H2,20,21,22,24)
InChIKey
XLKVIWKJRWAZTJ-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-(1H-benzimidazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1743 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 165.4
[M+Na]+ 361.16352 166.5
[M-H]- 337.16702 160.8
[M+NH4]+ 356.20812 184.0
[M+K]+ 377.13746 161.8
[M+H-H2O]+ 321.17156 156.4
[M+HCOO]- 383.17250 170.7
[M+CH3COO]- 397.18815 171.5
[M+Na-2H]- 359.14897 175.6
[M]+ 338.17375 164.5
[M]- 338.17485 164.5
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.