CID 1207861

2,4(1h,3h)-quinazolinedione, 6,7-dimethoxy-, bis(phenylhydrazone), monohydrochloride

Structural Information

Molecular Formula
C22H22N6O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)NNC3=CC=CC=C3)NNC4=CC=CC=C4)OC
InChI
InChI=1S/C22H22N6O2/c1-29-19-13-17-18(14-20(19)30-2)23-22(28-26-16-11-7-4-8-12-16)24-21(17)27-25-15-9-5-3-6-10-15/h3-14,25-26H,1-2H3,(H2,23,24,27,28)
InChIKey
VASXDZAKINPQJX-UHFFFAOYSA-N
Compound name
1-[6,7-dimethoxy-2-(2-phenylhydrazinyl)quinazolin-4-yl]-2-phenylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.18042 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.18770 197.5
[M+Na]+ 425.16964 211.5
[M+NH4]+ 420.21424 204.2
[M+K]+ 441.14358 202.8
[M-H]- 401.17314 205.8
[M+Na-2H]- 423.15509 208.2
[M]+ 402.17987 201.7
[M]- 402.18097 201.7
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.