CID 6448293

2-propanol, 3-(tert-butylamino)-1-((2-chloro-6-(1-(1h-imidazol-1-yl)vinyl)-5-methyl)phenoxy)-

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 190.3
[M+Na]+ 386.16058 197.0
[M-H]- 362.16408 193.0
[M+NH4]+ 381.20518 202.3
[M+K]+ 402.13452 190.8
[M+H-H2O]+ 346.16862 182.0
[M+HCOO]- 408.16956 204.0
[M+CH3COO]- 422.18521 214.8
[M+Na-2H]- 384.14603 190.3
[M]+ 363.17081 194.4
[M]- 363.17191 194.4
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.