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 215.7
[M+Na]+ 524.11767 217.3
[M-H]- 500.12117 227.5
[M+NH4]+ 519.16227 217.9
[M+K]+ 540.09161 206.3
[M+H-H2O]+ 484.12571 211.7
[M+HCOO]- 546.12665 237.3
[M+CH3COO]- 560.14230 233.2
[M+Na-2H]- 522.10312 219.1
[M]+ 501.12790 214.0
[M]- 501.12900 214.0
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.