CID 62061848

1456994-27-6

Structural Information

Molecular Formula
C13H16Cl3N3O
SMILES
C1CN(CC1CN)CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H16Cl3N3O/c14-9-3-11(16)12(4-10(9)15)18-13(20)7-19-2-1-8(5-17)6-19/h3-4,8H,1-2,5-7,17H2,(H,18,20)
InChIKey
CBTYMDOWTHQGRH-UHFFFAOYSA-N
Compound name
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.0359 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.04318 177.7
[M+Na]+ 358.02512 185.4
[M-H]- 334.02862 180.4
[M+NH4]+ 353.06972 192.5
[M+K]+ 373.99906 178.3
[M+H-H2O]+ 318.03316 171.6
[M+HCOO]- 380.03410 184.3
[M+CH3COO]- 394.04975 210.4
[M+Na-2H]- 356.01057 174.9
[M]+ 335.03535 177.3
[M]- 335.03645 177.3
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

patents stripe