CID 57265

97598-05-5

Structural Information

Molecular Formula
C15H21Cl2N3O2
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C(Cl)Cl
InChI
InChI=1S/C15H21Cl2N3O2/c1-3-20(4-2)10-9-18-14(21)11-5-7-12(8-6-11)19-15(22)13(16)17/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKey
VWHQMVPLGZQGTB-UHFFFAOYSA-N
Compound name
4-[(2,2-dichloroacetyl)amino]-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.10107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10835 181.6
[M+Na]+ 368.09029 186.0
[M-H]- 344.09379 185.3
[M+NH4]+ 363.13489 195.9
[M+K]+ 384.06423 182.0
[M+H-H2O]+ 328.09833 175.7
[M+HCOO]- 390.09927 196.2
[M+CH3COO]- 404.11492 220.2
[M+Na-2H]- 366.07574 181.2
[M]+ 345.10052 186.1
[M]- 345.10162 186.1
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.