CID 135843163

Schembl91890

Structural Information

Molecular Formula
C19H20N6O2
SMILES
CC(C)(C)C1=NN(C(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N)C3=CC=CC=C3
InChI
InChI=1S/C19H20N6O2/c1-19(2,3)17-16(18(20)24(23-17)14-7-5-4-6-8-14)22-21-13-9-11-15(12-10-13)25(26)27/h4-12H,20H2,1-3H3
InChIKey
GRJCHXNXXGDZOZ-UHFFFAOYSA-N
Compound name
3-tert-butyl-4-[(4-nitrophenyl)diazenyl]-1-phenylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

364.16476 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17204 184.9
[M+Na]+ 387.15398 190.8
[M-H]- 363.15748 195.3
[M+NH4]+ 382.19858 195.6
[M+K]+ 403.12792 182.6
[M+H-H2O]+ 347.16202 178.5
[M+HCOO]- 409.16296 211.8
[M+CH3COO]- 423.17861 221.3
[M+Na-2H]- 385.13943 192.5
[M]+ 364.16421 184.0
[M]- 364.16531 184.0
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.