CID 3078191

120262-45-5

Structural Information

Molecular Formula
C24H28BrN3O4
SMILES
CN1C2=C(CN(CC2)CC(C3=CC=C(C=C3)Br)O)N=C1C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H28BrN3O4/c1-27-19-9-10-28(14-20(29)15-5-7-17(25)8-6-15)13-18(19)26-24(27)16-11-21(30-2)23(32-4)22(12-16)31-3/h5-8,11-12,20,29H,9-10,13-14H2,1-4H3
InChIKey
XTXPKQITXRCIQS-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-[1-methyl-2-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.1263 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.13358 214.5
[M+Na]+ 524.11552 223.6
[M-H]- 500.11902 222.4
[M+NH4]+ 519.16012 223.6
[M+K]+ 540.08946 212.0
[M+H-H2O]+ 484.12356 210.5
[M+HCOO]- 546.12450 226.2
[M+CH3COO]- 560.14015 235.5
[M+Na-2H]- 522.10097 212.3
[M]+ 501.12575 236.4
[M]- 501.12685 236.4
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.