CID 28052

K 900

Structural Information

Molecular Formula
C12H16Cl2N2O3
SMILES
CN(C)CCOC(=O)NC1=C(C=C(C=C1Cl)OC)Cl
InChI
InChI=1S/C12H16Cl2N2O3/c1-16(2)4-5-19-12(17)15-11-9(13)6-8(18-3)7-10(11)14/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKey
ZFHRTZAHUGNHNH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(2,6-dichloro-4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0538 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06108 165.9
[M+Na]+ 329.04302 174.4
[M-H]- 305.04652 170.7
[M+NH4]+ 324.08762 182.9
[M+K]+ 345.01696 171.2
[M+H-H2O]+ 289.05106 160.9
[M+HCOO]- 351.05200 182.4
[M+CH3COO]- 365.06765 210.0
[M+Na-2H]- 327.02847 167.9
[M]+ 306.05325 173.9
[M]- 306.05435 173.9
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.