CID 3078183

120260-37-9

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CN1C2=C(CN(CC2)CC(C3=CC=CC=C3)O)N=C1C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C23H27N3O3/c1-25-19-11-12-26(15-20(27)16-7-5-4-6-8-16)14-18(19)24-23(25)17-9-10-21(28-2)22(13-17)29-3/h4-10,13,20,27H,11-12,14-15H2,1-3H3
InChIKey
BGSGPTKWBXNZOB-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.20523 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 197.5
[M+Na]+ 416.19445 203.8
[M-H]- 392.19795 202.8
[M+NH4]+ 411.23905 206.5
[M+K]+ 432.16839 198.2
[M+H-H2O]+ 376.20249 186.3
[M+HCOO]- 438.20343 211.6
[M+CH3COO]- 452.21908 205.5
[M+Na-2H]- 414.17990 196.1
[M]+ 393.20468 198.8
[M]- 393.20578 198.8
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.