CID 172916260

Dimoxystrobin-4-methylbenzoic acid

Structural Information

Molecular Formula
C19H20N2O5
SMILES
CC1=CC(=C(C=C1)C(=O)O)OCC2=CC=CC=C2/C(=N\OC)/C(=O)NC
InChI
InChI=1S/C19H20N2O5/c1-12-8-9-15(19(23)24)16(10-12)26-11-13-6-4-5-7-14(13)17(21-25-3)18(22)20-2/h4-10H,11H2,1-3H3,(H,20,22)(H,23,24)/b21-17+
InChIKey
VVBFFEYXSJKVET-HEHNFIMWSA-N
Compound name
2-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.144476 182.9
[M+Na]+ 379.126418 187.7
[M-H]- 355.129924 189.5
[M+NH4]+ 374.171023 194.6
[M+K]+ 395.100358 185.9
[M+H-H2O]+ 339.134460 173.8
[M+HCOO]- 401.135401 206.1
[M+CH3COO]- 415.151051 220.2
[M+Na-2H]- 377.111866 183.6
[M]+ 356.13665142 186.4
[M]- 356.13774858 186.4
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.