CID 15605853

1,3-dimesitylimidazolium-2-carboxylate

Structural Information

Molecular Formula
C22H25N2O2
SMILES
CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2C(=O)O)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C22H24N2O2/c1-13-9-15(3)19(16(4)10-13)23-7-8-24(21(23)22(25)26)20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3/p+1
InChIKey
NEHHJWFJQYAIPS-UHFFFAOYSA-O
Compound name
1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

349.1916 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19888 187.0
[M+Na]+ 372.18082 204.9
[M+NH4]+ 367.22542 194.8
[M+K]+ 388.15476 199.9
[M-H]- 348.18432 193.4
[M+Na-2H]- 370.16627 195.0
[M]+ 349.19105 191.9
[M]- 349.19215 191.9
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