CID 216620

4-amino-2-chloro-n-(2-(ethyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)benzamide hcl

Structural Information

Molecular Formula
C21H30ClN3O
SMILES
CCN(CCNC(=O)C1=C(C=C(C=C1)N)Cl)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C21H30ClN3O/c1-2-25(21-11-14-7-15(12-21)9-16(8-14)13-21)6-5-24-20(26)18-4-3-17(23)10-19(18)22/h3-4,10,14-16H,2,5-9,11-13,23H2,1H3,(H,24,26)
InChIKey
BJBRXNNGEWIWCY-UHFFFAOYSA-N
Compound name
N-[2-[1-adamantyl(ethyl)amino]ethyl]-4-amino-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.20773 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.21501 188.2
[M+Na]+ 398.19695 188.2
[M-H]- 374.20045 185.9
[M+NH4]+ 393.24155 207.3
[M+K]+ 414.17089 183.7
[M+H-H2O]+ 358.20499 180.9
[M+HCOO]- 420.20593 191.7
[M+CH3COO]- 434.22158 193.7
[M+Na-2H]- 396.18240 194.7
[M]+ 375.20718 189.5
[M]- 375.20828 189.5
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.