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

13
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 185.3
[M+Na]+ 372.15702 190.9
[M-H]- 348.16052 191.5
[M+NH4]+ 367.20162 202.0
[M+K]+ 388.13096 186.0
[M+H-H2O]+ 332.16506 178.7
[M+HCOO]- 394.16600 203.7
[M+CH3COO]- 408.18165 214.5
[M+Na-2H]- 370.14247 184.4
[M]+ 349.16725 184.5
[M]- 349.16835 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