CID 377198

Nsc658425

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CC1=CC2=C(C3=C1OC4=C3C=C(C=C4)OC)C(=NN=C2OC)OC
InChI
InChI=1S/C18H16N2O4/c1-9-7-12-15(18(23-4)20-19-17(12)22-3)14-11-8-10(21-2)5-6-13(11)24-16(9)14/h5-8H,1-4H3
InChIKey
BIEPOJPCAWLHPE-UHFFFAOYSA-N
Compound name
1,4,10-trimethoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 174.7
[M+Na]+ 347.10022 189.1
[M-H]- 323.10372 181.3
[M+NH4]+ 342.14482 190.8
[M+K]+ 363.07416 185.9
[M+H-H2O]+ 307.10826 166.2
[M+HCOO]- 369.10920 196.0
[M+CH3COO]- 383.12485 188.1
[M+Na-2H]- 345.08567 182.2
[M]+ 324.11045 187.0
[M]- 324.11155 187.0
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.