CID 3069765

Brn 5585448

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CC1=CN(C=N1)C(=C)C2=CC=CC=C2OCC(CNC(C)C)O
InChI
InChI=1S/C18H25N3O2/c1-13(2)19-9-16(22)11-23-18-8-6-5-7-17(18)15(4)21-10-14(3)20-12-21/h5-8,10,12-13,16,19,22H,4,9,11H2,1-3H3
InChIKey
LPSXDXCCSPKSIX-UHFFFAOYSA-N
Compound name
1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 178.0
[M+Na]+ 338.18389 182.4
[M-H]- 314.18739 180.5
[M+NH4]+ 333.22849 190.3
[M+K]+ 354.15783 178.8
[M+H-H2O]+ 298.19193 168.9
[M+HCOO]- 360.19287 196.3
[M+CH3COO]- 374.20852 209.7
[M+Na-2H]- 336.16934 176.6
[M]+ 315.19412 178.8
[M]- 315.19522 178.8
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.