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

4
Patents

362.16306 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.170336 186.1
[M+Na]+ 385.152278 195.4
[M-H]- 361.155784 196.1
[M+NH4]+ 380.196883 197.8
[M+K]+ 401.126218 192.2
[M+H-H2O]+ 345.160320 177.0
[M+HCOO]- 407.161261 207.8
[M+CH3COO]- 421.176911 197.7
[M+Na-2H]- 383.137726 188.7
[M]+ 362.16251142 194.5
[M]- 362.16360858 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