CID 207855

30957-65-4

Structural Information

Molecular Formula
C25H19N5O7
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C25H19N5O7/c1-16-22(25(33)28(26(16)2)19-6-4-3-5-7-19)27(23(31)17-8-12-20(13-9-17)29(34)35)24(32)18-10-14-21(15-11-18)30(36)37/h3-15H,1-2H3
InChIKey
MUFRPJNPUASVOJ-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitro-N-(4-nitrobenzoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.12845 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.13573 213.8
[M+Na]+ 524.11767 227.4
[M+NH4]+ 519.16227 216.9
[M+K]+ 540.09161 229.4
[M-H]- 500.12117 221.5
[M+Na-2H]- 522.10312 221.5
[M]+ 501.12790 217.4
[M]- 501.12900 217.4
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.