CID 383811

Nsc672372

Structural Information

Molecular Formula
C22H16N2O3
SMILES
CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C4=NC5=C(O4)C=C(C=C5)C)O
InChI
InChI=1S/C22H16N2O3/c1-12-3-7-16-19(9-12)26-21(23-16)14-5-6-15(18(25)11-14)22-24-17-8-4-13(2)10-20(17)27-22/h3-11,25H,1-2H3
InChIKey
BLBAPADRSOTHJN-UHFFFAOYSA-N
Compound name
2,5-bis(6-methyl-1,3-benzoxazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1161 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12338 183.7
[M+Na]+ 379.10532 197.6
[M-H]- 355.10882 195.6
[M+NH4]+ 374.14992 196.7
[M+K]+ 395.07926 193.1
[M+H-H2O]+ 339.11336 175.8
[M+HCOO]- 401.11430 204.8
[M+CH3COO]- 415.12995 196.7
[M+Na-2H]- 377.09077 187.1
[M]+ 356.11555 191.9
[M]- 356.11665 191.9
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.