CID 3051654

67625-00-7

Structural Information

Molecular Formula
C13H17Cl2N3O3
SMILES
CCN(CC)C(C)C(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H17Cl2N3O3/c1-4-17(5-2)8(3)13(19)16-12-10(14)6-9(18(20)21)7-11(12)15/h6-8H,4-5H2,1-3H3,(H,16,19)
InChIKey
PLMCHZZAJMSXPV-UHFFFAOYSA-N
Compound name
N-(2,6-dichloro-4-nitrophenyl)-2-(diethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0647 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07198 175.1
[M+Na]+ 356.05392 180.9
[M-H]- 332.05742 179.0
[M+NH4]+ 351.09852 189.6
[M+K]+ 372.02786 173.7
[M+H-H2O]+ 316.06196 174.8
[M+HCOO]- 378.06290 190.8
[M+CH3COO]- 392.07855 211.1
[M+Na-2H]- 354.03937 176.0
[M]+ 333.06415 178.9
[M]- 333.06525 178.9
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.