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]+ 399.19145 194.4
[M+Na]+ 421.17339 199.1
[M-H]- 397.17689 201.4
[M+NH4]+ 416.21799 205.0
[M+K]+ 437.14733 198.4
[M+H-H2O]+ 381.18143 186.2
[M+HCOO]- 443.18237 214.1
[M+CH3COO]- 457.19802 230.5
[M+Na-2H]- 419.15884 193.1
[M]+ 398.18362 198.3
[M]- 398.18472 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.