CID 65655

Amtolmetin guacil

Structural Information

Molecular Formula
C24H24N2O5
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCC(=O)OC3=CC=CC=C3OC
InChI
InChI=1S/C24H24N2O5/c1-16-8-10-17(11-9-16)24(29)19-13-12-18(26(19)2)14-22(27)25-15-23(28)31-21-7-5-4-6-20(21)30-3/h4-13H,14-15H2,1-3H3,(H,25,27)
InChIKey
CWJNMKKMGIAGDK-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) 2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

48
References

2866
Patents

420.16852 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.175796 201.0
[M+Na]+ 443.157738 206.1
[M-H]- 419.161244 209.7
[M+NH4]+ 438.202343 210.6
[M+K]+ 459.131678 202.9
[M+H-H2O]+ 403.165780 190.9
[M+HCOO]- 465.166721 222.2
[M+CH3COO]- 479.182371 229.3
[M+Na-2H]- 441.143186 198.2
[M]+ 420.16797142 206.0
[M]- 420.16906858 206.0
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