CID 6483426

Schembl9871272

Structural Information

Molecular Formula
C21H26N2O2S
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=CSC(=N3)C
InChI
InChI=1S/C21H26N2O2S/c1-16-14-20(25-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-15-26-17(2)22-21/h9-12,14-15H,3-8,13H2,1-2H3
InChIKey
CIDJIBXRVUZCHG-UHFFFAOYSA-N
Compound name
3-methyl-5-[7-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]heptyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

370.1715 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17878 189.2
[M+Na]+ 393.16072 198.7
[M-H]- 369.16422 198.2
[M+NH4]+ 388.20532 202.4
[M+K]+ 409.13466 194.2
[M+H-H2O]+ 353.16876 180.9
[M+HCOO]- 415.16970 208.1
[M+CH3COO]- 429.18535 214.6
[M+Na-2H]- 391.14617 186.9
[M]+ 370.17095 199.2
[M]- 370.17205 199.2
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

patents stripe