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]+ 344.23326 187.0
[M+Na]+ 366.21520 192.3
[M-H]- 342.21870 189.9
[M+NH4]+ 361.25980 198.9
[M+K]+ 382.18914 188.2
[M+H-H2O]+ 326.22324 178.6
[M+HCOO]- 388.22418 204.1
[M+CH3COO]- 402.23983 215.8
[M+Na-2H]- 364.20065 186.1
[M]+ 343.22543 189.0
[M]- 343.22653 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.