CID 10935908

Mandestrobin

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(C(=O)NC)OC
InChI
InChI=1S/C19H23NO3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)18(22-4)19(21)20-3/h5-11,18H,12H2,1-4H3,(H,20,21)
InChIKey
PDPWCKVFIFAQIQ-UHFFFAOYSA-N
Compound name
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

8812
Patents

313.1678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 175.6
[M+Na]+ 336.15702 181.4
[M-H]- 312.16052 182.2
[M+NH4]+ 331.20162 189.9
[M+K]+ 352.13096 178.7
[M+H-H2O]+ 296.16506 167.2
[M+HCOO]- 358.16600 198.1
[M+CH3COO]- 372.18165 211.8
[M+Na-2H]- 334.14247 176.7
[M]+ 313.16725 179.1
[M]- 313.16835 179.1
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