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 187.8
[M+Na]+ 372.18082 198.3
[M-H]- 348.18432 195.8
[M+NH4]+ 367.22542 200.2
[M+K]+ 388.15476 186.8
[M+H-H2O]+ 332.18886 181.7
[M+HCOO]- 394.18980 206.5
[M+CH3COO]- 408.20545 211.2
[M+Na-2H]- 370.16627 186.6
[M]+ 349.19105 190.4
[M]- 349.19215 190.4
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