CID 483981

L-282964

Structural Information

Molecular Formula
C24H19N3O4
SMILES
COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=CC=CC=C5O4
InChI
InChI=1S/C24H19N3O4/c1-30-20-12-6-16(7-13-20)22-15-21(24-14-17-4-2-3-5-23(17)31-24)25-26(22)18-8-10-19(11-9-18)27(28)29/h2-14,22H,15H2,1H3
InChIKey
OPMIRQQEKUCASL-UHFFFAOYSA-N
Compound name
5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.13754 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14482 197.5
[M+Na]+ 436.12676 204.3
[M-H]- 412.13026 210.4
[M+NH4]+ 431.17136 206.5
[M+K]+ 452.10070 195.8
[M+H-H2O]+ 396.13480 191.1
[M+HCOO]- 458.13574 219.2
[M+CH3COO]- 472.15139 218.8
[M+Na-2H]- 434.11221 200.7
[M]+ 413.13699 199.4
[M]- 413.13809 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.