CID 139594435

Methoxyfenozide m08

Structural Information

Molecular Formula
C22H26N2O5
SMILES
CC1=CC(=CC(=C1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C
InChI
InChI=1S/C22H26N2O5/c1-13-10-15(12-16(11-13)21(27)28)20(26)24(22(3,4)5)23-19(25)17-8-7-9-18(29-6)14(17)2/h7-12H,1-6H3,(H,23,25)(H,27,28)
InChIKey
BWAFBWXZAIMPFN-UHFFFAOYSA-N
Compound name
3-[tert-butyl-[(3-methoxy-2-methylbenzoyl)amino]carbamoyl]-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

398.18417 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.191446 194.4
[M+Na]+ 421.173388 199.1
[M-H]- 397.176894 201.4
[M+NH4]+ 416.217993 205.0
[M+K]+ 437.147328 198.4
[M+H-H2O]+ 381.181430 186.2
[M+HCOO]- 443.182371 214.1
[M+CH3COO]- 457.198021 230.5
[M+Na-2H]- 419.158836 193.1
[M]+ 398.18362142 198.3
[M]- 398.18471858 198.3
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

No patent data available for this compound.