CID 340667

Nsc371688

Structural Information

Molecular Formula
C24H20N2O4
SMILES
COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C4=NOC5=C4CCC6=C5C=CC(=C6)OC
InChI
InChI=1S/C24H20N2O4/c1-27-15-5-9-17-13(11-15)3-7-19-21(25-29-23(17)19)22-20-8-4-14-12-16(28-2)6-10-18(14)24(20)30-26-22/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKey
LZKSUVYQWLNVJV-UHFFFAOYSA-N
Compound name
7-methoxy-3-(7-methoxy-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

1
References

1
Patents

400.1423 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14958 192.6
[M+Na]+ 423.13152 203.5
[M-H]- 399.13502 202.7
[M+NH4]+ 418.17612 205.8
[M+K]+ 439.10546 199.9
[M+H-H2O]+ 383.13956 183.8
[M+HCOO]- 445.14050 208.2
[M+CH3COO]- 459.15615 203.5
[M+Na-2H]- 421.11697 195.1
[M]+ 400.14175 199.8
[M]- 400.14285 199.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe