CID 2952118

Rhodblock 1a

Structural Information

Molecular Formula
C20H16N2O2
SMILES
C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CO3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N2O2/c23-20(19-12-7-13-24-19)22-18(16-10-5-2-6-11-16)14-17(21-22)15-8-3-1-4-9-15/h1-13,18H,14H2
InChIKey
VEIXLXIVAMCBLZ-UHFFFAOYSA-N
Compound name
(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.1212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.128476 172.7
[M+Na]+ 339.110418 179.8
[M-H]- 315.113924 184.0
[M+NH4]+ 334.155023 185.6
[M+K]+ 355.084358 175.9
[M+H-H2O]+ 299.118460 163.0
[M+HCOO]- 361.119401 193.8
[M+CH3COO]- 375.135051 184.2
[M+Na-2H]- 337.095866 173.2
[M]+ 316.12065142 172.6
[M]- 316.12174858 172.6
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

patents stripe