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

11
Patents

349.1678 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 185.0
[M+Na]+ 372.15702 195.3
[M+NH4]+ 367.20162 192.9
[M+K]+ 388.13096 189.1
[M-H]- 348.16052 187.8
[M+Na-2H]- 370.14247 190.6
[M]+ 349.16725 187.1
[M]- 349.16835 187.1
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