CID 198826

Ammonium, (2-(p-methylsulfonylphenyl)imidazo(1,2-a)pyrid-3-ylmethyl)trimethyl-, iodide

Structural Information

Molecular Formula
C18H22N3O2S
SMILES
C[N+](C)(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C
InChI
InChI=1S/C18H22N3O2S/c1-21(2,3)13-16-18(19-17-7-5-6-12-20(16)17)14-8-10-15(11-9-14)24(4,22)23/h5-12H,13H2,1-4H3/q+1
InChIKey
RQKDOWWXUPSDSU-UHFFFAOYSA-N
Compound name
trimethyl-[[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15056 180.8
[M+Na]+ 367.13250 191.2
[M-H]- 343.13600 188.7
[M+NH4]+ 362.17710 195.7
[M+K]+ 383.10644 180.8
[M+H-H2O]+ 327.14054 175.6
[M+HCOO]- 389.14148 197.8
[M+CH3COO]- 403.15713 207.3
[M+Na-2H]- 365.11795 189.0
[M]+ 344.14273 186.2
[M]- 344.14383 186.2
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

No patent data available for this compound.