CID 371889

Nsc646473

Structural Information

Molecular Formula
C26H28N4O2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)NC4=NC5=CC=CC=C5N4CC6=CC=CC=C6
InChI
InChI=1S/C26H28N4O2/c31-23(24(32)29-26-13-18-10-19(14-26)12-20(11-18)15-26)28-25-27-21-8-4-5-9-22(21)30(25)16-17-6-2-1-3-7-17/h1-9,18-20H,10-16H2,(H,29,32)(H,27,28,31)
InChIKey
ZRVAMTCOHXYGSR-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-(1-benzylbenzimidazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.22122 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.22850 185.6
[M+Na]+ 451.21044 185.5
[M-H]- 427.21394 184.8
[M+NH4]+ 446.25504 200.6
[M+K]+ 467.18438 180.1
[M+H-H2O]+ 411.21848 173.6
[M+HCOO]- 473.21942 191.0
[M+CH3COO]- 487.23507 190.4
[M+Na-2H]- 449.19589 194.0
[M]+ 428.22067 185.8
[M]- 428.22177 185.8
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.