CID 3069771

Brn 5644101

Structural Information

Molecular Formula
C23H29N3O3
SMILES
CC(C)(C)NCC(COC1=C(C=CC=C1OC)C(=C)N2C=NC3=CC=CC=C32)O
InChI
InChI=1S/C23H29N3O3/c1-16(26-15-24-19-10-6-7-11-20(19)26)18-9-8-12-21(28-5)22(18)29-14-17(27)13-25-23(2,3)4/h6-12,15,17,25,27H,1,13-14H2,2-5H3
InChIKey
QHRHIBUBQWZZEL-UHFFFAOYSA-N
Compound name
1-[2-[1-(benzimidazol-1-yl)ethenyl]-6-methoxyphenoxy]-3-(tert-butylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.2209 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 197.5
[M+Na]+ 418.21012 208.7
[M+NH4]+ 413.25472 202.6
[M+K]+ 434.18406 204.8
[M-H]- 394.21362 199.2
[M+Na-2H]- 416.19557 202.6
[M]+ 395.22035 199.4
[M]- 395.22145 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.