CID 135573302

4(3h)-quinazolinone, 3-(5-nitro-2-pyridyl)-2-(2,4-dihydroxystyryl)-

Structural Information

Molecular Formula
C21H14N4O5
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=C(C=C(C=C3)O)O)C4=NC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H14N4O5/c26-15-8-5-13(18(27)11-15)6-9-20-23-17-4-2-1-3-16(17)21(28)24(20)19-10-7-14(12-22-19)25(29)30/h1-12,26-27H/b9-6+
InChIKey
JDQPQHWJKAWPPE-RMKNXTFCSA-N
Compound name
2-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-(5-nitropyridin-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0964 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10368 193.8
[M+Na]+ 425.08562 201.5
[M-H]- 401.08912 198.9
[M+NH4]+ 420.13022 198.6
[M+K]+ 441.05956 190.0
[M+H-H2O]+ 385.09366 186.1
[M+HCOO]- 447.09460 210.8
[M+CH3COO]- 461.11025 213.2
[M+Na-2H]- 423.07107 200.9
[M]+ 402.09585 192.3
[M]- 402.09695 192.3
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.