CID 6435959

4(3h)-quinazolinone, 2-(o-(dimethylamino)styryl)-3-(p-nitroanilino)-

Structural Information

Molecular Formula
C24H21N5O3
SMILES
CN(C)C1=CC=CC=C1/C=C/C2=NC3=CC=CC=C3C(=O)N2NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H21N5O3/c1-27(2)22-10-6-3-7-17(22)11-16-23-25-21-9-5-4-8-20(21)24(30)28(23)26-18-12-14-19(15-13-18)29(31)32/h3-16,26H,1-2H3/b16-11+
InChIKey
PYNKDMXFBAHTRA-LFIBNONCSA-N
Compound name
2-[(E)-2-[2-(dimethylamino)phenyl]ethenyl]-3-(4-nitroanilino)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.16443 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.17171 200.6
[M+Na]+ 450.15365 217.1
[M+NH4]+ 445.19825 207.0
[M+K]+ 466.12759 210.8
[M-H]- 426.15715 209.2
[M+Na-2H]- 448.13910 210.7
[M]+ 427.16388 205.3
[M]- 427.16498 205.3
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.