CID 340682

Nsc371703

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1CC2=C(C3=CC=CC=C31)ON=C2C4=NOC5=C4CCC6=CC=CC=C65
InChI
InChI=1S/C22H16N2O2/c1-3-7-15-13(5-1)9-11-17-19(23-25-21(15)17)20-18-12-10-14-6-2-4-8-16(14)22(18)26-24-20/h1-8H,9-12H2
InChIKey
ZCBUTZFHVGVXJK-UHFFFAOYSA-N
Compound name
3-(4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1212 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12848 175.2
[M+Na]+ 363.11042 186.1
[M-H]- 339.11392 184.9
[M+NH4]+ 358.15502 190.5
[M+K]+ 379.08436 181.2
[M+H-H2O]+ 323.11846 166.5
[M+HCOO]- 385.11940 191.5
[M+CH3COO]- 399.13505 186.9
[M+Na-2H]- 361.09587 179.8
[M]+ 340.12065 178.3
[M]- 340.12175 178.3
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.