CID 6448293

Brn 5611696

Structural Information

Molecular Formula
C19H26ClN3O2
SMILES
CC1=C(C(=C(C=C1)Cl)OCC(CNC(C)(C)C)O)/C=C/N2C=CN=C2
InChI
InChI=1S/C19H26ClN3O2/c1-14-5-6-17(20)18(16(14)7-9-23-10-8-21-13-23)25-12-15(24)11-22-19(2,3)4/h5-10,13,15,22,24H,11-12H2,1-4H3/b9-7+
InChIKey
WVMXMOQMTNYXEG-VQHVLOKHSA-N
Compound name
1-(tert-butylamino)-3-[6-chloro-2-[(E)-2-imidazol-1-ylethenyl]-3-methylphenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.17136 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17864 189.3
[M+Na]+ 386.16058 200.1
[M+NH4]+ 381.20518 194.7
[M+K]+ 402.13452 195.6
[M-H]- 362.16408 190.4
[M+Na-2H]- 384.14603 193.9
[M]+ 363.17081 191.2
[M]- 363.17191 191.2
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.