CID 27330

K 913

Structural Information

Molecular Formula
C17H26Cl2N2O3
SMILES
CCCCOC1=CC(=C(C(=C1)Cl)NC(=O)OCCN(CC)CC)Cl
InChI
InChI=1S/C17H26Cl2N2O3/c1-4-7-9-23-13-11-14(18)16(15(19)12-13)20-17(22)24-10-8-21(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,20,22)
InChIKey
SLUGSSUBBLPTKO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(4-butoxy-2,6-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.13205 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13933 189.0
[M+Na]+ 399.12127 195.3
[M-H]- 375.12477 192.8
[M+NH4]+ 394.16587 203.1
[M+K]+ 415.09521 191.0
[M+H-H2O]+ 359.12931 182.9
[M+HCOO]- 421.13025 203.8
[M+CH3COO]- 435.14590 224.5
[M+Na-2H]- 397.10672 188.3
[M]+ 376.13150 198.8
[M]- 376.13260 198.8
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.