CID 3078187

120260-39-1

Structural Information

Molecular Formula
C22H33N3O4
SMILES
CC(C)(C)C(CN1CCC2=C(C1)N=C(N2C)C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C22H33N3O4/c1-22(2,3)19(26)13-25-9-8-16-15(12-25)23-21(24(16)4)14-10-17(27-5)20(29-7)18(11-14)28-6/h10-11,19,26H,8-9,12-13H2,1-7H3
InChIKey
YRZCJHAEXCCSDS-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-[1-methyl-2-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.2471 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.25438 203.2
[M+Na]+ 426.23632 209.8
[M-H]- 402.23982 205.7
[M+NH4]+ 421.28092 212.8
[M+K]+ 442.21026 206.5
[M+H-H2O]+ 386.24436 194.3
[M+HCOO]- 448.24530 214.9
[M+CH3COO]- 462.26095 225.8
[M+Na-2H]- 424.22177 200.8
[M]+ 403.24655 208.2
[M]- 403.24765 208.2
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.