CID 162345333

Ns00132850

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CC(C)(C)C1C(OC2=C(O1)C=C(C=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C15H17ClN2O2/c1-15(2,3)13-14(18-7-6-17-9-18)20-11-5-4-10(16)8-12(11)19-13/h4-9,13-14H,1-3H3
InChIKey
MTNXEMHQVMWEJA-UHFFFAOYSA-N
Compound name
1-(3-tert-butyl-6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.09787 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.105146 168.8
[M+Na]+ 315.087088 178.4
[M-H]- 291.090594 175.0
[M+NH4]+ 310.131693 182.9
[M+K]+ 331.061028 175.6
[M+H-H2O]+ 275.095130 161.3
[M+HCOO]- 337.096071 179.9
[M+CH3COO]- 351.111721 180.4
[M+Na-2H]- 313.072536 173.5
[M]+ 292.09732142 172.5
[M]- 292.09841858 172.5
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.