CID 6483423

Schembl9436495

Structural Information

Molecular Formula
C22H22N2O3
SMILES
CC1=NOC(=C1)CCCCCOC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C22H22N2O3/c1-16-15-19(27-24-16)7-3-2-6-14-25-18-12-10-17(11-13-18)22-23-20-8-4-5-9-21(20)26-22/h4-5,8-13,15H,2-3,6-7,14H2,1H3
InChIKey
RYSAQAPWFOKMLM-UHFFFAOYSA-N
Compound name
2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

362.16306 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17034 186.1
[M+Na]+ 385.15228 195.4
[M-H]- 361.15578 196.1
[M+NH4]+ 380.19688 197.8
[M+K]+ 401.12622 192.2
[M+H-H2O]+ 345.16032 177.0
[M+HCOO]- 407.16126 207.8
[M+CH3COO]- 421.17691 197.7
[M+Na-2H]- 383.13773 188.7
[M]+ 362.16251 194.5
[M]- 362.16361 194.5
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