CID 216622

Benzamide, 4-amino-n-(2-(ethyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)-3-methyl-, monohydrochloride

Structural Information

Molecular Formula
C22H33N3O
SMILES
CCN(CCNC(=O)C1=CC(=C(C=C1)N)C)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C22H33N3O/c1-3-25(22-12-16-9-17(13-22)11-18(10-16)14-22)7-6-24-21(26)19-4-5-20(23)15(2)8-19/h4-5,8,16-18H,3,6-7,9-14,23H2,1-2H3,(H,24,26)
InChIKey
FCCLCTDLPWPWTG-UHFFFAOYSA-N
Compound name
N-[2-[1-adamantyl(ethyl)amino]ethyl]-4-amino-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.26236 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.26964 184.9
[M+Na]+ 378.25158 183.4
[M-H]- 354.25508 182.5
[M+NH4]+ 373.29618 203.8
[M+K]+ 394.22552 180.1
[M+H-H2O]+ 338.25962 176.2
[M+HCOO]- 400.26056 192.1
[M+CH3COO]- 414.27621 190.2
[M+Na-2H]- 376.23703 191.3
[M]+ 355.26181 183.9
[M]- 355.26291 183.9
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.