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 199.0
[M+Na]+ 418.21012 204.7
[M-H]- 394.21362 202.9
[M+NH4]+ 413.25472 209.3
[M+K]+ 434.18406 200.1
[M+H-H2O]+ 378.21816 189.8
[M+HCOO]- 440.21910 216.2
[M+CH3COO]- 454.23475 224.2
[M+Na-2H]- 416.19557 200.5
[M]+ 395.22035 203.5
[M]- 395.22145 203.5
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.