CID 58165

P-amino-n-benzyl-n-(3-(diethylamino)propyl)benzamide hydrochloride

Structural Information

Molecular Formula
C21H29N3O
SMILES
CCN(CC)CCCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C21H29N3O/c1-3-23(4-2)15-8-16-24(17-18-9-6-5-7-10-18)21(25)19-11-13-20(22)14-12-19/h5-7,9-14H,3-4,8,15-17,22H2,1-2H3
InChIKey
KVGCFMBNXFYDKC-UHFFFAOYSA-N
Compound name
4-amino-N-benzyl-N-[3-(diethylamino)propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23105 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.23833 187.2
[M+Na]+ 362.22027 189.2
[M-H]- 338.22377 194.7
[M+NH4]+ 357.26487 200.2
[M+K]+ 378.19421 186.7
[M+H-H2O]+ 322.22831 177.0
[M+HCOO]- 384.22925 211.9
[M+CH3COO]- 398.24490 226.5
[M+Na-2H]- 360.20572 188.0
[M]+ 339.23050 188.4
[M]- 339.23160 188.4
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.