CID 216632

3-amino-n-(3-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)propyl)benzamide dihydrochloride

Structural Information

Molecular Formula
C20H29N3O
SMILES
C1C2CC3CC1CC(C2)(C3)NCCCNC(=O)C4=CC(=CC=C4)N
InChI
InChI=1S/C20H29N3O/c21-18-4-1-3-17(10-18)19(24)22-5-2-6-23-20-11-14-7-15(12-20)9-16(8-14)13-20/h1,3-4,10,14-16,23H,2,5-9,11-13,21H2,(H,22,24)
InChIKey
IHLDFDVTUWCAMP-UHFFFAOYSA-N
Compound name
N-[3-(1-adamantylamino)propyl]-3-aminobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.23105 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.23833 172.2
[M+Na]+ 350.22027 171.0
[M-H]- 326.22377 168.8
[M+NH4]+ 345.26487 191.6
[M+K]+ 366.19421 166.7
[M+H-H2O]+ 310.22831 163.9
[M+HCOO]- 372.22925 180.0
[M+CH3COO]- 386.24490 177.9
[M+Na-2H]- 348.20572 181.6
[M]+ 327.23050 169.6
[M]- 327.23160 169.6
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.