CID 3039074

Brn 2749655

Structural Information

Molecular Formula
C15H22Cl2N2O
SMILES
CCC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CN(CC)CC
InChI
InChI=1S/C15H22Cl2N2O/c1-4-14(11-7-8-12(16)13(17)9-11)18-15(20)10-19(5-2)6-3/h7-9,14H,4-6,10H2,1-3H3,(H,18,20)
InChIKey
BYEXFDAOAUMJMV-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.11093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11821 175.1
[M+Na]+ 339.10015 181.2
[M-H]- 315.10365 178.9
[M+NH4]+ 334.14475 191.3
[M+K]+ 355.07409 176.5
[M+H-H2O]+ 299.10819 169.6
[M+HCOO]- 361.10913 189.1
[M+CH3COO]- 375.12478 215.0
[M+Na-2H]- 337.08560 174.7
[M]+ 316.11038 180.4
[M]- 316.11148 180.4
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.