CID 3069764

Brn 5610070

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C(=C)N2C=NC3=CC=CC=C32)O
InChI
InChI=1S/C22H27N3O2/c1-16(25-15-23-19-10-6-7-11-20(19)25)18-9-5-8-12-21(18)27-14-17(26)13-24-22(2,3)4/h5-12,15,17,24,26H,1,13-14H2,2-4H3
InChIKey
HAAUBVPBGJLBEO-UHFFFAOYSA-N
Compound name
1-[2-[1-(benzimidazol-1-yl)ethenyl]phenoxy]-3-(tert-butylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.21033 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 191.3
[M+Na]+ 388.19955 196.9
[M-H]- 364.20305 195.0
[M+NH4]+ 383.24415 202.7
[M+K]+ 404.17349 191.6
[M+H-H2O]+ 348.20759 182.2
[M+HCOO]- 410.20853 208.7
[M+CH3COO]- 424.22418 217.9
[M+Na-2H]- 386.18500 193.9
[M]+ 365.20978 193.7
[M]- 365.21088 193.7
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.