CID 5272761

Schembl9804055

Structural Information

Molecular Formula
C24H27NO2
SMILES
CC1=NOC(=C1)CCCCCCCOC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO2/c1-18-17-19(27-25-18)11-5-3-2-4-10-16-26-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h6-9,12-15,17,24H,2-5,10-11,16H2,1H3
InChIKey
IQLYISCLQHOGOP-UHFFFAOYSA-N
Compound name
5-[7-(9H-fluoren-9-yloxy)heptyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.2042 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 191.0
[M+Na]+ 384.19342 198.4
[M-H]- 360.19692 198.5
[M+NH4]+ 379.23802 206.6
[M+K]+ 400.16736 193.2
[M+H-H2O]+ 344.20146 182.7
[M+HCOO]- 406.20240 211.1
[M+CH3COO]- 420.21805 201.5
[M+Na-2H]- 382.17887 191.9
[M]+ 361.20365 197.4
[M]- 361.20475 197.4
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

patents stripe