CID 41632

Mepronil

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C
InChI
InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
InChIKey
BCTQJXQXJVLSIG-UHFFFAOYSA-N
Compound name
2-methyl-N-(3-propan-2-yloxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

33617
Patents

269.14157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.5
[M+Na]+ 292.13079 169.4
[M-H]- 268.13429 170.2
[M+NH4]+ 287.17539 179.4
[M+K]+ 308.10473 166.4
[M+H-H2O]+ 252.13883 155.5
[M+HCOO]- 314.13977 186.5
[M+CH3COO]- 328.15542 202.5
[M+Na-2H]- 290.11624 166.4
[M]+ 269.14102 164.5
[M]- 269.14212 164.5
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