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 201.8
[M+Na]+ 450.15365 206.9
[M-H]- 426.15715 210.9
[M+NH4]+ 445.19825 208.0
[M+K]+ 466.12759 196.7
[M+H-H2O]+ 410.16169 193.1
[M+HCOO]- 472.16263 224.2
[M+CH3COO]- 486.17828 231.2
[M+Na-2H]- 448.13910 209.0
[M]+ 427.16388 201.1
[M]- 427.16498 201.1
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.