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 189.9
[M+Na]+ 425.16964 195.4
[M-H]- 401.17314 197.8
[M+NH4]+ 420.21424 197.2
[M+K]+ 441.14358 189.6
[M+H-H2O]+ 385.17768 177.4
[M+HCOO]- 447.17862 214.1
[M+CH3COO]- 461.19427 198.5
[M+Na-2H]- 423.15509 199.9
[M]+ 402.17987 190.5
[M]- 402.18097 190.5
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.