CID 53882

C 5364

Structural Information

Molecular Formula
C22H29Cl2N3O
SMILES
CCN(CC)CCN(CC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C22H29Cl2N3O/c1-4-26(5-2)13-14-27(15-18-9-11-19(23)12-10-18)16-21(28)25-22-17(3)7-6-8-20(22)24/h6-12H,4-5,13-16H2,1-3H3,(H,25,28)
InChIKey
DMSYIZIGFUUIDS-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-[(4-chlorophenyl)methyl-[2-(diethylamino)ethyl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.16876 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17604 205.7
[M+Na]+ 444.15798 210.5
[M-H]- 420.16148 213.3
[M+NH4]+ 439.20258 217.8
[M+K]+ 460.13192 204.9
[M+H-H2O]+ 404.16602 197.3
[M+HCOO]- 466.16696 221.2
[M+CH3COO]- 480.18261 239.5
[M+Na-2H]- 442.14343 204.3
[M]+ 421.16821 213.0
[M]- 421.16931 213.0
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.