CID 176879

Bifenazate

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC
InChI
InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)
InChIKey
VHLKTXFWDRXILV-UHFFFAOYSA-N
Compound name
propan-2-yl N-(2-methoxy-5-phenylanilino)carbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

62
References

26296
Patents

300.1474 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 170.7
[M+Na]+ 323.136618 175.6
[M-H]- 299.140124 177.3
[M+NH4]+ 318.181223 185.0
[M+K]+ 339.110558 173.4
[M+H-H2O]+ 283.144660 162.0
[M+HCOO]- 345.145601 194.9
[M+CH3COO]- 359.161251 209.1
[M+Na-2H]- 321.122066 174.1
[M]+ 300.14685142 172.3
[M]- 300.14794858 172.3
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