CID 216628

4-amino-3-methyl-n-(3-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)propyl)benzamide 2hcl

Structural Information

Molecular Formula
C21H31N3O
SMILES
CC1=C(C=CC(=C1)C(=O)NCCCNC23CC4CC(C2)CC(C4)C3)N
InChI
InChI=1S/C21H31N3O/c1-14-7-18(3-4-19(14)22)20(25)23-5-2-6-24-21-11-15-8-16(12-21)10-17(9-15)13-21/h3-4,7,15-17,24H,2,5-6,8-13,22H2,1H3,(H,23,25)
InChIKey
REENDLPGUAWFLY-UHFFFAOYSA-N
Compound name
N-[3-(1-adamantylamino)propyl]-4-amino-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2467 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.25398 178.7
[M+Na]+ 364.23592 177.8
[M-H]- 340.23942 175.3
[M+NH4]+ 359.28052 197.7
[M+K]+ 380.20986 173.4
[M+H-H2O]+ 324.24396 170.4
[M+HCOO]- 386.24490 185.9
[M+CH3COO]- 400.26055 184.1
[M+Na-2H]- 362.22137 186.6
[M]+ 341.24615 176.6
[M]- 341.24725 176.6
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.