CID 491430

2-(1-adamantyl)-3-(benzylsulfanylmethyl)-7-methyl-imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C26H30N2S
SMILES
CC1=CC2=NC(=C(N2C=C1)CSCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C26H30N2S/c1-18-7-8-28-23(17-29-16-19-5-3-2-4-6-19)25(27-24(28)9-18)26-13-20-10-21(14-26)12-22(11-20)15-26/h2-9,20-22H,10-17H2,1H3
InChIKey
BLFWLCUBJIDRIY-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-3-(benzylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.21298 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.22026 187.3
[M+Na]+ 425.20220 190.7
[M-H]- 401.20570 186.6
[M+NH4]+ 420.24680 205.4
[M+K]+ 441.17614 183.8
[M+H-H2O]+ 385.21024 176.0
[M+HCOO]- 447.21118 188.1
[M+CH3COO]- 461.22683 193.1
[M+Na-2H]- 423.18765 193.1
[M]+ 402.21243 191.7
[M]- 402.21353 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.