CID 53946

C 5363

Structural Information

Molecular Formula
C23H32ClN3O
SMILES
CCN(CC)CCN(CC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C23H32ClN3O/c1-5-26(6-2)14-15-27(16-20-10-12-21(24)13-11-20)17-22(28)25-23-18(3)8-7-9-19(23)4/h7-13H,5-6,14-17H2,1-4H3,(H,25,28)
InChIKey
UMBARMCLFKLRBF-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl-[2-(diethylamino)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2234 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.23068 203.9
[M+Na]+ 424.21262 207.8
[M-H]- 400.21612 212.2
[M+NH4]+ 419.25722 216.3
[M+K]+ 440.18656 203.4
[M+H-H2O]+ 384.22066 194.6
[M+HCOO]- 446.22160 224.1
[M+CH3COO]- 460.23725 238.8
[M+Na-2H]- 422.19807 202.7
[M]+ 401.22285 210.1
[M]- 401.22395 210.1
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.