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 193.6
[M+Na]+ 415.21044 198.4
[M-H]- 391.21394 198.3
[M+NH4]+ 410.25504 203.3
[M+K]+ 431.18438 192.3
[M+H-H2O]+ 375.21848 183.5
[M+HCOO]- 437.21942 210.1
[M+CH3COO]- 451.23507 201.4
[M+Na-2H]- 413.19589 192.4
[M]+ 392.22067 193.6
[M]- 392.22177 193.6
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.