CID 6435953

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

Structural Information

Molecular Formula
C21H14N4O3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H14N4O3/c26-21-17-8-4-5-9-18(17)23-20(12-10-15-6-2-1-3-7-15)24(21)19-13-11-16(14-22-19)25(27)28/h1-14H/b12-10+
InChIKey
XOEAYUCVJGDCDP-ZRDIBKRKSA-N
Compound name
3-(5-nitropyridin-2-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1066 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11388 188.0
[M+Na]+ 393.09582 195.4
[M-H]- 369.09932 194.7
[M+NH4]+ 388.14042 195.1
[M+K]+ 409.06976 183.8
[M+H-H2O]+ 353.10386 179.5
[M+HCOO]- 415.10480 207.7
[M+CH3COO]- 429.12045 211.1
[M+Na-2H]- 391.08127 196.6
[M]+ 370.10605 186.3
[M]- 370.10715 186.3
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.