CID 3060030

1-propanol, 3-(n-(2-imidazolin-2-yl)-n-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)-, hydriodide

Structural Information

Molecular Formula
C22H26N4O2
SMILES
COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CN(CCCO)C4=NCCN4
InChI
InChI=1S/C22H26N4O2/c1-28-17-9-7-16(8-10-17)21-19(18-5-2-3-6-20(18)25-21)15-26(13-4-14-27)22-23-11-12-24-22/h2-3,5-10,25,27H,4,11-15H2,1H3,(H,23,24)
InChIKey
UEMADQXDBDKDFV-UHFFFAOYSA-N
Compound name
3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 192.4
[M+Na]+ 401.19479 204.2
[M+NH4]+ 396.23939 198.5
[M+K]+ 417.16873 200.9
[M-H]- 377.19829 196.2
[M+Na-2H]- 399.18024 199.0
[M]+ 378.20502 194.9
[M]- 378.20612 194.9
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.