CID 515437

Schembl10505973

Structural Information

Molecular Formula
C19H21Cl2N3O2
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C3=NC=CN3C)Cl
InChI
InChI=1S/C19H21Cl2N3O2/c1-13-10-15(26-23-13)6-4-3-5-9-25-18-16(20)11-14(12-17(18)21)19-22-7-8-24(19)2/h7-8,10-12H,3-6,9H2,1-2H3
InChIKey
CMBNNEPPTCTGGB-UHFFFAOYSA-N
Compound name
5-[5-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

393.10107 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.10835 192.8
[M+Na]+ 416.09029 204.3
[M-H]- 392.09379 199.3
[M+NH4]+ 411.13489 204.1
[M+K]+ 432.06423 198.0
[M+H-H2O]+ 376.09833 182.8
[M+HCOO]- 438.09927 204.7
[M+CH3COO]- 452.11492 203.3
[M+Na-2H]- 414.07574 190.8
[M]+ 393.10052 203.4
[M]- 393.10162 203.4
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

patents stripe