CID 27329

K 924

Structural Information

Molecular Formula
C19H28Cl2N2O3
SMILES
CCCCCOC1=CC(=C(C(=C1)Cl)NC(=O)OCCN2CCCCC2)Cl
InChI
InChI=1S/C19H28Cl2N2O3/c1-2-3-7-11-25-15-13-16(20)18(17(21)14-15)22-19(24)26-12-10-23-8-5-4-6-9-23/h13-14H,2-12H2,1H3,(H,22,24)
InChIKey
ZDMUCSGOKXCYPN-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(2,6-dichloro-4-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1477 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15498 194.5
[M+Na]+ 425.13692 198.8
[M-H]- 401.14042 197.5
[M+NH4]+ 420.18152 205.2
[M+K]+ 441.11086 192.9
[M+H-H2O]+ 385.14496 186.4
[M+HCOO]- 447.14590 202.8
[M+CH3COO]- 461.16155 221.5
[M+Na-2H]- 423.12237 193.0
[M]+ 402.14715 198.2
[M]- 402.14825 198.2
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.