CID 53693

77587-86-1

Structural Information

Molecular Formula
C23H28N4O2
SMILES
CCCC(N(CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)OC)C4=NCCN4)O
InChI
InChI=1S/C23H28N4O2/c1-3-6-21(28)27(23-24-13-14-25-23)15-19-18-7-4-5-8-20(18)26-22(19)16-9-11-17(29-2)12-10-16/h4-5,7-12,21,26,28H,3,6,13-15H2,1-2H3,(H,24,25)
InChIKey
YFOVOOKWGKJMED-UHFFFAOYSA-N
Compound name
1-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.22122 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22850 196.1
[M+Na]+ 415.21044 207.4
[M+NH4]+ 410.25504 202.0
[M+K]+ 431.18438 204.7
[M-H]- 391.21394 199.8
[M+Na-2H]- 413.19589 202.2
[M]+ 392.22067 198.5
[M]- 392.22177 198.5
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.