CID 25160672

1092445-62-9

Structural Information

Molecular Formula
C22H23NO3
SMILES
CC1=C(C(=CC=C1)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O)C=C(C)C
InChI
InChI=1S/C22H23NO3/c1-14(2)11-19-15(3)7-6-10-18(19)20(24)23-22(21(25)26)12-16-8-4-5-9-17(16)13-22/h4-11H,12-13H2,1-3H3,(H,23,24)(H,25,26)
InChIKey
FQSVUDYSMORLMZ-UHFFFAOYSA-N
Compound name
2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

349.1678 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.175076 185.3
[M+Na]+ 372.157018 190.9
[M-H]- 348.160524 191.5
[M+NH4]+ 367.201623 202.0
[M+K]+ 388.130958 186.0
[M+H-H2O]+ 332.165060 178.7
[M+HCOO]- 394.166001 203.7
[M+CH3COO]- 408.181651 214.5
[M+Na-2H]- 370.142466 184.4
[M]+ 349.16725142 184.5
[M]- 349.16834858 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe