CID 371893

Nsc646477

Structural Information

Molecular Formula
C26H30N4O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C5=CC=CC=C5N(C4=N)CC6=CC=CC=C6
InChI
InChI=1S/C26H30N4O/c27-25-29(16-18-6-2-1-3-7-18)22-8-4-5-9-23(22)30(25)17-24(31)28-26-13-19-10-20(14-26)12-21(11-19)15-26/h1-9,19-21,27H,10-17H2,(H,28,31)
InChIKey
SGWXDOIWYGPDGM-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.24197 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.24925 185.0
[M+Na]+ 437.23119 186.2
[M-H]- 413.23469 184.4
[M+NH4]+ 432.27579 200.9
[M+K]+ 453.20513 179.3
[M+H-H2O]+ 397.23923 172.7
[M+HCOO]- 459.24017 191.1
[M+CH3COO]- 473.25582 190.2
[M+Na-2H]- 435.21664 193.1
[M]+ 414.24142 184.8
[M]- 414.24252 184.8
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.