PubChemLite - Orysastrobin (C18H25N5O5)

Structural Information

Molecular Formula

SMILES

C/C(=N\OC)/C(=N\OC)/C(=N/OCC1=CC=CC=C1/C(=N\OC)/C(=O)NC)/C

InChI

InChI=1S/C18H25N5O5/c1-12(20-25-4)16(22-26-5)13(2)21-28-11-14-9-7-8-10-15(14)17(23-27-6)18(24)19-3/h7-10H,11H2,1-6H3,(H,19,24)/b20-12+,21-13+,22-16+,23-17+

InChIKey

JHIPUJPTQJYEQK-ZLHHXESBSA-N

Compound name

(2E)-2-[2-[[(E)-[(3E,4E)-3,4-bis(methoxyimino)pentan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	392.19286	192.7
[M+Na]+	414.17480	196.8
[M+NH4]+	409.21940	195.1
[M+K]+	430.14874	194.1
[M-H]-	390.17830	193.9
[M+Na-2H]-	412.16025	195.1
[M]+	391.18503	192.7
[M]-	391.18613	192.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.19286

192.7

[M+Na]+

414.17480

196.8

[M+NH4]+

409.21940

195.1

[M+K]+

430.14874

194.1

[M-H]-

390.17830

193.9

[M+Na-2H]-

412.16025

195.1

[M]+

391.18503

192.7

[M]-

391.18613

192.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Orysastrobin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe