CID 5271217

98033-87-5

Structural Information

Molecular Formula
C19H23ClN2O3
SMILES
CC1=NOC(=C1)CCCCCCOC2=C(C=C(C=C2)C3=NCCO3)Cl
InChI
InChI=1S/C19H23ClN2O3/c1-14-12-16(25-22-14)6-4-2-3-5-10-23-18-8-7-15(13-17(18)20)19-21-9-11-24-19/h7-8,12-13H,2-6,9-11H2,1H3
InChIKey
LRXNLBZTVRGIRO-UHFFFAOYSA-N
Compound name
5-[6-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]hexyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

362.1397 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14698 187.3
[M+Na]+ 385.12892 195.0
[M-H]- 361.13242 195.3
[M+NH4]+ 380.17352 198.7
[M+K]+ 401.10286 191.7
[M+H-H2O]+ 345.13696 178.4
[M+HCOO]- 407.13790 202.5
[M+CH3COO]- 421.15355 211.6
[M+Na-2H]- 383.11437 186.6
[M]+ 362.13915 195.1
[M]- 362.14025 195.1
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