CID 3069780

Brn 5589260

Structural Information

Molecular Formula
C20H29N3O2
SMILES
CC1=CC(=C(C(=C1)C(=C)N2C=CN=C2)OCC(CNC(C)(C)C)O)C
InChI
InChI=1S/C20H29N3O2/c1-14-9-15(2)19(25-12-17(24)11-22-20(4,5)6)18(10-14)16(3)23-8-7-21-13-23/h7-10,13,17,22,24H,3,11-12H2,1-2,4-6H3
InChIKey
SOHQLNWCVGOCAY-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.22598 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.233256 187.0
[M+Na]+ 366.215198 192.3
[M-H]- 342.218704 189.9
[M+NH4]+ 361.259803 198.9
[M+K]+ 382.189138 188.2
[M+H-H2O]+ 326.223240 178.6
[M+HCOO]- 388.224181 204.1
[M+CH3COO]- 402.239831 215.8
[M+Na-2H]- 364.200646 186.1
[M]+ 343.22543142 189.0
[M]- 343.22652858 189.0
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.