CID 388877

Nsc684105

Structural Information

Molecular Formula
C19H23NO2S
SMILES
CC1=CC=C(S1)CCCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C19H23NO2S/c1-15-6-11-18(23-15)5-3-2-4-13-21-17-9-7-16(8-10-17)19-20-12-14-22-19/h6-11H,2-5,12-14H2,1H3
InChIKey
GNOSMNWVRJWWKC-UHFFFAOYSA-N
Compound name
2-[4-[5-(5-methylthiophen-2-yl)pentoxy]phenyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.14496 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15224 178.6
[M+Na]+ 352.13418 186.1
[M-H]- 328.13768 188.1
[M+NH4]+ 347.17878 194.3
[M+K]+ 368.10812 182.7
[M+H-H2O]+ 312.14222 171.3
[M+HCOO]- 374.14316 196.7
[M+CH3COO]- 388.15881 190.2
[M+Na-2H]- 350.11963 176.4
[M]+ 329.14441 184.4
[M]- 329.14551 184.4
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.