CID 112212

70528-91-5

Structural Information

Molecular Formula
C17H16N6O4S
SMILES
CC1=NN(C(=N)C1N=NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C17H16N6O4S/c1-11-16(17(18)22(21-11)12-6-4-3-5-7-12)20-19-14-9-8-13(28(2,26)27)10-15(14)23(24)25/h3-10,16,18H,1-2H3
InChIKey
GHPLSOVHHRFMFR-UHFFFAOYSA-N
Compound name
5-methyl-4-[(4-methylsulfonyl-2-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.09537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10265 186.3
[M+Na]+ 423.08459 197.5
[M+NH4]+ 418.12919 191.1
[M+K]+ 439.05853 195.1
[M-H]- 399.08809 192.2
[M+Na-2H]- 421.07004 194.1
[M]+ 400.09482 189.5
[M]- 400.09592 189.5
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.