CID 57357

4-amino-2-butoxy-n-(2-(diethylamino)ethyl)benzamide hydrochloride

Structural Information

Molecular Formula
C17H29N3O2
SMILES
CCCCOC1=C(C=CC(=C1)N)C(=O)NCCN(CC)CC
InChI
InChI=1S/C17H29N3O2/c1-4-7-12-22-16-13-14(18)8-9-15(16)17(21)19-10-11-20(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKey
HRSOZJQYKMMUBZ-UHFFFAOYSA-N
Compound name
4-amino-2-butoxy-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.22598 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.233256 178.3
[M+Na]+ 330.215198 181.6
[M-H]- 306.218704 181.9
[M+NH4]+ 325.259803 192.8
[M+K]+ 346.189138 179.8
[M+H-H2O]+ 290.223240 169.8
[M+HCOO]- 352.224181 202.7
[M+CH3COO]- 366.239831 219.0
[M+Na-2H]- 328.200646 178.6
[M]+ 307.22543142 181.2
[M]- 307.22652858 181.2
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

patents stripe