CID 11610682

890764-36-0

Structural Information

Molecular Formula
C22H16N4O3
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
InChIKey
KIALCSMRIHRFPL-UHFFFAOYSA-N
Compound name
N-(2,5-diphenylpyrazol-3-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

322
Patents

384.12225 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12953 189.1
[M+Na]+ 407.11147 205.0
[M+NH4]+ 402.15607 196.0
[M+K]+ 423.08541 201.3
[M-H]- 383.11497 197.9
[M+Na-2H]- 405.09692 201.0
[M]+ 384.12170 193.8
[M]- 384.12280 193.8
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