CID 27328

K 914

Structural Information

Molecular Formula
C18H28Cl2N2O3
SMILES
CCCCCOC1=CC(=C(C(=C1)Cl)NC(=O)OCCN(CC)CC)Cl
InChI
InChI=1S/C18H28Cl2N2O3/c1-4-7-8-10-24-14-12-15(19)17(16(20)13-14)21-18(23)25-11-9-22(5-2)6-3/h12-13H,4-11H2,1-3H3,(H,21,23)
InChIKey
XRGFPKQDDJQBBX-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(2,6-dichloro-4-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1477 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15498 193.5
[M+Na]+ 413.13692 199.4
[M-H]- 389.14042 197.2
[M+NH4]+ 408.18152 207.1
[M+K]+ 429.11086 194.9
[M+H-H2O]+ 373.14496 187.2
[M+HCOO]- 435.14590 208.0
[M+CH3COO]- 449.16155 227.4
[M+Na-2H]- 411.12237 192.3
[M]+ 390.14715 203.7
[M]- 390.14825 203.7
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.