CID 3007451

1-[1-(2-sec-butoxyphenyl)vinyl]imidazole

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCC(C)OC1=CC=CC=C1C(=C)N2C=CN=C2
InChI
InChI=1S/C15H18N2O/c1-4-12(2)18-15-8-6-5-7-14(15)13(3)17-10-9-16-11-17/h5-12H,3-4H2,1-2H3
InChIKey
UMCWEXRDEMEAQC-UHFFFAOYSA-N
Compound name
1-[1-(2-butan-2-yloxyphenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.1419 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 157.3
[M+Na]+ 265.13112 164.0
[M-H]- 241.13462 161.1
[M+NH4]+ 260.17572 173.6
[M+K]+ 281.10506 160.7
[M+H-H2O]+ 225.13916 148.5
[M+HCOO]- 287.14010 177.9
[M+CH3COO]- 301.15575 194.3
[M+Na-2H]- 263.11657 159.1
[M]+ 242.14135 158.4
[M]- 242.14245 158.4
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.