CID 217347

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

Structural Information

Molecular Formula
C20H28ClN3O
SMILES
C1C2CC3CC1CC(C2)(C3)NCCCNC(=O)C4=C(C=C(C=C4)N)Cl
InChI
InChI=1S/C20H28ClN3O/c21-18-9-16(22)2-3-17(18)19(25)23-4-1-5-24-20-10-13-6-14(11-20)8-15(7-13)12-20/h2-3,9,13-15,24H,1,4-8,10-12,22H2,(H,23,25)
InChIKey
ZFQVDVQUBIYARP-UHFFFAOYSA-N
Compound name
N-[3-(1-adamantylamino)propyl]-4-amino-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.19208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19936 182.1
[M+Na]+ 384.18130 182.6
[M-H]- 360.18480 178.8
[M+NH4]+ 379.22590 201.3
[M+K]+ 400.15524 177.1
[M+H-H2O]+ 344.18934 175.2
[M+HCOO]- 406.19028 185.7
[M+CH3COO]- 420.20593 187.7
[M+Na-2H]- 382.16675 190.1
[M]+ 361.19153 182.1
[M]- 361.19263 182.1
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.