CID 51605

Fenoxycarb

Structural Information

Molecular Formula
C17H19NO4
SMILES
CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKey
HJUFTIJOISQSKQ-UHFFFAOYSA-N
Compound name
ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

193
References

49900
Patents

301.1314 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 169.6
[M+Na]+ 324.12062 174.7
[M-H]- 300.12412 175.8
[M+NH4]+ 319.16522 183.9
[M+K]+ 340.09456 172.3
[M+H-H2O]+ 284.12866 160.7
[M+HCOO]- 346.12960 194.0
[M+CH3COO]- 360.14525 204.0
[M+Na-2H]- 322.10607 174.5
[M]+ 301.13085 173.5
[M]- 301.13195 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe