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
3
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]+ 399.19145 194.9
[M+Na]+ 421.17339 204.0
[M+NH4]+ 416.21799 198.7
[M+K]+ 437.14733 201.2
[M-H]- 397.17689 196.7
[M+Na-2H]- 419.15884 199.1
[M]+ 398.18362 196.4
[M]- 398.18472 196.4
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.