CID 3088206

117052-16-1

Structural Information

Molecular Formula
C21H28N4O
SMILES
CCN1C2=CC=CC=C2N(C1=N)CC(=O)NC3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C21H28N4O/c1-2-24-17-5-3-4-6-18(17)25(21(24)22)12-19(26)23-20-15-8-13-7-14(10-15)11-16(20)9-13/h3-6,13-16,20,22H,2,7-12H2,1H3,(H,23,26)
InChIKey
YQWRQUUWBUBPOY-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.22632 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23360 176.0
[M+Na]+ 375.21554 178.0
[M-H]- 351.21904 172.9
[M+NH4]+ 370.26014 193.5
[M+K]+ 391.18948 172.5
[M+H-H2O]+ 335.22358 167.0
[M+HCOO]- 397.22452 182.5
[M+CH3COO]- 411.24017 182.2
[M+Na-2H]- 373.20099 182.9
[M]+ 352.22577 177.0
[M]- 352.22687 177.0
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.