CID 64594

117651-72-6

Structural Information

Molecular Formula
C21H28N4O
SMILES
CCN1C2=CC=CC=C2N(C1=N)CC(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C21H28N4O/c1-2-24-17-5-3-4-6-18(17)25(20(24)22)13-19(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,22H,2,7-13H2,1H3,(H,23,26)
InChIKey
SYQMZRPXAHOAHC-UHFFFAOYSA-N
Compound name
N-(1-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23360 175.4
[M+Na]+ 375.21554 177.9
[M-H]- 351.21904 172.2
[M+NH4]+ 370.26014 194.6
[M+K]+ 391.18948 172.1
[M+H-H2O]+ 335.22358 165.5
[M+HCOO]- 397.22452 181.9
[M+CH3COO]- 411.24017 181.8
[M+Na-2H]- 373.20099 183.8
[M]+ 352.22577 176.4
[M]- 352.22687 176.4
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.