CID 3078185

120260-38-0

Structural Information

Molecular Formula
C24H29N3O4
SMILES
CN1C2=C(CN(CC2)CC(C3=CC=CC=C3)O)N=C1C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H29N3O4/c1-26-19-10-11-27(15-20(28)16-8-6-5-7-9-16)14-18(19)25-24(26)17-12-21(29-2)23(31-4)22(13-17)30-3/h5-9,12-13,20,28H,10-11,14-15H2,1-4H3
InChIKey
IRRVDHKWIJXETQ-UHFFFAOYSA-N
Compound name
2-[1-methyl-2-(3,4,5-trimethoxyphenyl)-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

423.21582 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.22310 205.0
[M+Na]+ 446.20504 211.4
[M-H]- 422.20854 210.5
[M+NH4]+ 441.24964 212.9
[M+K]+ 462.17898 206.4
[M+H-H2O]+ 406.21308 193.7
[M+HCOO]- 468.21402 218.8
[M+CH3COO]- 482.22967 227.8
[M+Na-2H]- 444.19049 202.5
[M]+ 423.21527 208.4
[M]- 423.21637 208.4
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

No patent data available for this compound.