CID 11577870

Pyribencarb

Structural Information

Molecular Formula
C18H20ClN3O3
SMILES
CC1=NC(=CC=C1)CO/N=C(\C)/C2=CC(=C(C=C2)Cl)CNC(=O)OC
InChI
InChI=1S/C18H20ClN3O3/c1-12-5-4-6-16(21-12)11-25-22-13(2)14-7-8-17(19)15(9-14)10-20-18(23)24-3/h4-9H,10-11H2,1-3H3,(H,20,23)/b22-13+
InChIKey
CRFYLQMIDWBKRT-LPYMAVHISA-N
Compound name
methyl N-[[2-chloro-5-[(E)-C-methyl-N-[(6-methylpyridin-2-yl)methoxy]carbonimidoyl]phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16930
Patents

361.11932 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12660 184.9
[M+Na]+ 384.10854 191.9
[M-H]- 360.11204 191.5
[M+NH4]+ 379.15314 197.2
[M+K]+ 400.08248 187.7
[M+H-H2O]+ 344.11658 175.8
[M+HCOO]- 406.11752 204.7
[M+CH3COO]- 420.13317 220.5
[M+Na-2H]- 382.09399 187.2
[M]+ 361.11877 191.2
[M]- 361.11987 191.2
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

patents stripe