CID 54601

4-dimethylamino-1-phenyl-1-(p-chlorobenzoylamino)butane hydrochloride

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
CN(C)CCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H23ClN2O/c1-22(2)14-6-9-18(15-7-4-3-5-8-15)21-19(23)16-10-12-17(20)13-11-16/h3-5,7-8,10-13,18H,6,9,14H2,1-2H3,(H,21,23)
InChIKey
MICSNYQPQHHOCP-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-(dimethylamino)-1-phenylbutyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1499 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15718 180.9
[M+Na]+ 353.13912 185.2
[M-H]- 329.14262 187.9
[M+NH4]+ 348.18372 195.2
[M+K]+ 369.11306 180.5
[M+H-H2O]+ 313.14716 172.6
[M+HCOO]- 375.14810 200.0
[M+CH3COO]- 389.16375 217.2
[M+Na-2H]- 351.12457 182.5
[M]+ 330.14935 183.7
[M]- 330.15045 183.7
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.