CID 28058

K 902

Structural Information

Molecular Formula
C14H20Cl2N2O3
SMILES
CCCOC1=CC(=C(C(=C1)Cl)NC(=O)OCCN(C)C)Cl
InChI
InChI=1S/C14H20Cl2N2O3/c1-4-6-20-10-8-11(15)13(12(16)9-10)17-14(19)21-7-5-18(2)3/h8-9H,4-7H2,1-3H3,(H,17,19)
InChIKey
BURMNDLPNIYWFL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(2,6-dichloro-4-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08508 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09236 175.2
[M+Na]+ 357.07430 182.8
[M-H]- 333.07780 179.6
[M+NH4]+ 352.11890 191.1
[M+K]+ 373.04824 179.2
[M+H-H2O]+ 317.08234 169.8
[M+HCOO]- 379.08328 191.0
[M+CH3COO]- 393.09893 215.8
[M+Na-2H]- 355.05975 176.1
[M]+ 334.08453 183.9
[M]- 334.08563 183.9
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.