CID 216624

Benzamide, 2-amino-n-(2-(ethyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H31N3O
SMILES
CCN(CCNC(=O)C1=CC=CC=C1N)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C21H31N3O/c1-2-24(8-7-23-20(25)18-5-3-4-6-19(18)22)21-12-15-9-16(13-21)11-17(10-15)14-21/h3-6,15-17H,2,7-14,22H2,1H3,(H,23,25)
InChIKey
OFEYJBZOWKKJPU-UHFFFAOYSA-N
Compound name
N-[2-[1-adamantyl(ethyl)amino]ethyl]-2-aminobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2467 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.25398 178.7
[M+Na]+ 364.23592 176.8
[M-H]- 340.23942 176.3
[M+NH4]+ 359.28052 198.0
[M+K]+ 380.20986 173.6
[M+H-H2O]+ 324.24396 170.0
[M+HCOO]- 386.24490 186.4
[M+CH3COO]- 400.26055 184.3
[M+Na-2H]- 362.22137 186.5
[M]+ 341.24615 177.2
[M]- 341.24725 177.2
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.