CID 218458

Brn 0709262

Structural Information

Molecular Formula
C21H15N5O2
SMILES
C1=CC=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)N=NC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C21H15N5O2/c27-26(28)20-14-8-7-13-18(20)23-24-19-15-22-25(17-11-5-2-6-12-17)21(19)16-9-3-1-4-10-16/h1-15H
InChIKey
QHWCQGITNPCJND-UHFFFAOYSA-N
Compound name
(1,5-diphenylpyrazol-4-yl)-(2-nitrophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1226 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12988 184.7
[M+Na]+ 392.11182 190.0
[M-H]- 368.11532 197.6
[M+NH4]+ 387.15642 194.4
[M+K]+ 408.08576 180.5
[M+H-H2O]+ 352.11986 176.2
[M+HCOO]- 414.12080 212.9
[M+CH3COO]- 428.13645 218.4
[M+Na-2H]- 390.09727 192.7
[M]+ 369.12205 183.5
[M]- 369.12315 183.5
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.