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]+ 366.217606 191.3
[M+Na]+ 388.199548 196.9
[M-H]- 364.203054 195.0
[M+NH4]+ 383.244153 202.7
[M+K]+ 404.173488 191.6
[M+H-H2O]+ 348.207590 182.2
[M+HCOO]- 410.208531 208.7
[M+CH3COO]- 424.224181 217.9
[M+Na-2H]- 386.184996 193.9
[M]+ 365.20978142 193.7
[M]- 365.21087858 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.