CID 383810

Nsc672371

Structural Information

Molecular Formula
C24H20N2O4
SMILES
CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3O)C4=NC5=C(O4)C=CC(=C5)CC)O
InChI
InChI=1S/C24H20N2O4/c1-3-13-5-7-21-17(9-13)25-23(29-21)15-11-20(28)16(12-19(15)27)24-26-18-10-14(4-2)6-8-22(18)30-24/h5-12,27-28H,3-4H2,1-2H3
InChIKey
CFIFPXCCFUPTSL-UHFFFAOYSA-N
Compound name
2,5-bis(5-ethyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1423 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14958 196.5
[M+Na]+ 423.13152 209.4
[M-H]- 399.13502 207.1
[M+NH4]+ 418.17612 207.1
[M+K]+ 439.10546 204.6
[M+H-H2O]+ 383.13956 188.5
[M+HCOO]- 445.14050 215.4
[M+CH3COO]- 459.15615 208.0
[M+Na-2H]- 421.11697 197.9
[M]+ 400.14175 205.4
[M]- 400.14285 205.4
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.